[ CAS No. 108035-45-6 ] {[proInfo.proName]}

Name: 108035-45-6|4-(1H-Imidazol-2-yl)benzoic acid|97%
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SKU: A124521
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Quality Control of [ 108035-45-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 108035-45-6 ]

CAS No. :	108035-45-6	MDL No. :	MFCD00456057
Formula :	C₁₀H₈N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YJCYHGYOXHANSY-UHFFFAOYSA-N
M.W :	188.18	Pubchem ID :	1475901
Synonyms :

Calculated chemistry of [ 108035-45-6 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	50.98
TPSA :	65.98 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.97
Log Po/w (XLOGP3) :	1.25
Log Po/w (WLOGP) :	1.77
Log Po/w (MLOGP) :	0.9
Log Po/w (SILICOS-IT) :	1.92
Consensus Log Po/w :	1.36

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.24
Solubility :	1.07 mg/ml ; 0.00571 mol/l
Class :	Soluble
Log S (Ali) :	-2.23
Solubility :	1.1 mg/ml ; 0.00584 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.13
Solubility :	0.14 mg/ml ; 0.000745 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.35

Safety of [ 108035-45-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 108035-45-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 108035-45-6 ]
Downstream synthetic route of [ 108035-45-6 ]

[ 108035-45-6 ] Synthesis Path-Upstream 1~1

1
[ 131543-46-9 ]
[ 619-66-9 ]
[ 108035-45-6 ]

Yield	Reaction Conditions	Operation in experiment
83%	With hydrogenchloride In ammonium hydroxide; water	Step 1: 4-(1H-Imidazol-2-yl)-benzoic Acid (248) To a stirred solution of 4-formylbenzoic acid (2.00 g, 12.3 mmol) in ammonium hydroxide (9 ml) was added glyoxal (2.86 ml, 20.0 mmol). The reaction mixture was stirred 16 h at room temperature. 1N HCl was added to the reaction mixture to acidify to pH 5. The solvent was evaporated and the residue was triturated 30 min. in water (20 ml) and filtered to obtain the title compound 248 (2.08 g, 83percent) as a white solid. LRMS: 188.1 (Calc.); 189.1 (found).
83%	With hydrogenchloride In ammonium hydroxide; water	Step 1: 4-(1H-Imidazol-2-yl)-benzoic acid (248) To a stirred solution of 4-formylbenzoic acid (2.00 g, 12.3 mmol) in ammonium hydroxide (9 ml) was added glyoxal (2.86 ml, 20.0 mmol). The reaction mixture was stirred 16 h at room temperature. 1N HCl was added to the reaction mixture to acidify to pH 5. The solvent was evaporated and the residue was triturated 30 min. in water (20 ml) and filtered to obtain the title compound 248 (2.08 g, 83percent) as a white solid. LRMS: 188.1 (Calc.); 189.1 (found).
83%	With hydrogenchloride In ammonium hydroxide; water	Step 1: 4-(1H-Imidazol-2-yl)-benzoic acid (248) To a stirred solution of 4-formylbenzoic acid (2.00 g, 12.3 mmol) in ammonium hydroxide (9 ml) was added glyoxal (2.86 ml, 20.0 mmol). The reaction mixture was stirred 16 h at room temperature. 1N HCl was added to the reaction mixture to acidify to pH 5. The solvent was evaporated and the residue was triturated 30 min. in water (20 ml) and filtered to obtain the title compound 248 (2.08 g, 83percent) as a white solid. LRMS: 188.1 (Calc.). 189.1 (found).

Reference： [1] Patent: US2004/142953, 2004, A1,
[2] Patent: US2005/288282, 2005, A1,
[3] Patent: US6897220, 2005, B2,
[4] Journal of Medicinal Chemistry, 1987, vol. 30, # 8, p. 1342 - 1347
[5] Patent: US2003/119811, 2003, A1,

[ 108035-45-6 ] Synthesis Path-Downstream 1~18

1
[ 67-56-1 ]
[ 108035-45-6 ]
[ 125903-39-1 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 1091 - 1097

2
[ 108035-45-6 ]
[ 101184-10-5 ]
[ 94444-69-6 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 1342 - 1347

3
[ 108035-45-6 ]
[ 101184-09-2 ]
[ 108035-39-8 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 1342 - 1347

4
[ 131543-46-9 ]
[ 619-66-9 ]
[ 108035-45-6 ]

Yield	Reaction Conditions	Operation in experiment
83%	With hydrogenchloride; In ammonium hydroxide; water;	Step 1: 4-(1H-Imidazol-2-yl)-benzoic Acid (248) To a stirred solution of 4-formylbenzoic acid (2.00 g, 12.3 mmol) in ammonium hydroxide (9 ml) was added glyoxal (2.86 ml, 20.0 mmol). The reaction mixture was stirred 16 h at room temperature. 1N HCl was added to the reaction mixture to acidify to pH 5. The solvent was evaporated and the residue was triturated 30 min. in water (20 ml) and filtered to obtain the title compound 248 (2.08 g, 83%) as a white solid. LRMS: 188.1 (Calc.); 189.1 (found).
83%	With hydrogenchloride; In ammonium hydroxide; water;	Step 1: 4-(1H-Imidazol-2-yl)-benzoic acid (248) To a stirred solution of 4-formylbenzoic acid (2.00 g, 12.3 mmol) in ammonium hydroxide (9 ml) was added glyoxal (2.86 ml, 20.0 mmol). The reaction mixture was stirred 16 h at room temperature. 1N HCl was added to the reaction mixture to acidify to pH 5. The solvent was evaporated and the residue was triturated 30 min. in water (20 ml) and filtered to obtain the title compound 248 (2.08 g, 83%) as a white solid. LRMS: 188.1 (Calc.); 189.1 (found).
83%	With hydrogenchloride; In ammonium hydroxide; water;	Step 1: 4-(1H-Imidazol-2-yl)-benzoic acid (248) To a stirred solution of 4-formylbenzoic acid (2.00 g, 12.3 mmol) in ammonium hydroxide (9 ml) was added glyoxal (2.86 ml, 20.0 mmol). The reaction mixture was stirred 16 h at room temperature. 1N HCl was added to the reaction mixture to acidify to pH 5. The solvent was evaporated and the residue was triturated 30 min. in water (20 ml) and filtered to obtain the title compound 248 (2.08 g, 83%) as a white solid. LRMS: 188.1 (Calc.). 189.1 (found).

71%	With ammonium acetate; lipase; In water; at 45℃; for 4.0h;Enzymatic reaction;	General procedure: A mixture of glyoxal (0.058 g), benzaldehyde (0.106 g), ammonium acetate (0.154 g),and lipase (0.05 g) were taken in a 50-ml, two-necked, round-bottomed flask. Thereaction mixture was stirred for 1-4 h at 45 C. in 10 ml water. After completion ofthe reaction as indicated by thin-layer chromatography (TLC; ethyl acetate/n-hexane,2:1), the reaction mixture was filtered and washed with water (310 ml), and thesolid residue was crystallized from ethyl acetate to give pure product 3a as white solid. All other products were prepared following this procedure and were identifiedby their melting point, 1H NMR comparing to the literature.
	In water;	4-(1H-Imidazol-2-yl)benzoic acid Ammonia gas was bubbled into a solution of 4-carboxybenzaldehyde (2.0 g, 13.32 mmol) in water (15 mL) for 10 min. To clear soln was added glyoxal (2.9 mL, 19.98 mmol) in water (10 mL) dropwise over 15 min and the reaction mixture was stirred for 3 h. The solution was neutralized with 6N HCl and filtered to give a white paste. Trituration with acetone followed by evaporation gave 4-(1H-imidazol-2-yl)benzoic acid as a white solid.

Reference： [1]Patent: US2004/142953,2004,A1
[2]Patent: US2005/288282,2005,A1
[3]Patent: US6897220,2005,B2
[4]Journal of Asian Natural Products Research,2020
[5]Journal of Medicinal Chemistry,1987,vol. 30,p. 1342 - 1347
[6]Patent: US2003/119811,2003,A1

5
[ 108035-45-6 ]
[ 219671-92-8 ]
N-{3-[5-cyano-2-(2-methoxy-ethoxymethoxy)-phenyl]-allyl}-4-(1H-imidazol-2-yl)-benzamide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2000,vol. 10,p. 217 - 221

6
[ 108035-45-6 ]
[ 193152-96-4 ]
(2R,3R)-2-(3-Cyano-benzyl)-3-[4-(1H-imidazol-2-yl)-benzoylamino]-butyric acid methyl ester [ No CAS ]

Reference： [1]Bioorganic and medicinal chemistry letters,2002,vol. 12,p. 1671 - 1674

7
[ 108035-45-6 ]
[ 595584-59-1 ]
N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-4-(1H-imidazol-2-yl)-benzamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 839 - 848

8
[ 108035-45-6 ]
(2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidazol-2-yl)-benzoylamino]-butyric acid methyl ester [ No CAS ]

Reference： [1]Bioorganic and medicinal chemistry letters,2002,vol. 12,p. 1671 - 1674

9
[ 108035-45-6 ]
[ 125903-40-4 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 1091 - 1097

10
(1R,2S)-2-[(3aR,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexaneamine hydrochloride [ No CAS ]
[ 108035-45-6 ]
4-(1H-imidazol-2-yl)-N-((1R,2S)-2-[(3aR,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-1-yl]carbonyl}cyclohexyl)benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
61%	With diethyl cyanophosphonate; triethylamine; In tetrahydrofuran; at 0 - 20℃; for 1.0h;	Example 281; 4- (1H-Imidazol-2-yl) -N- ( ( 1R, 2S) -2-{ [ (3aR, 4R, 9bR) -4- (methoxymethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2- c]quinolin-1-yl]carbonyl}cyclohexyl)benzamide; To a solution of (1R,25)-2-[(3aR,4R,9bR)-4- (methoxymethyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2- c]quinolin-1-yl]carbonyl}cyclohexaneamine hydrochloride (200 mg, 0.480 mmol) in tetrahydrofuran (5 ml) were added triethylamine (0.199 ml, 1.44 mmol), 4-(1H- imidazol-2-yl) benzoic acid (99.0 mg, 0.529 mmol) and DEPC (0.079 ml, 0.529 mmol) under ice-cooling, and the mixture was stirred at room temperature for 1 hr. Water was added to the reaction solution, and the mixture was extracted with ethyl acetate. The organic layer was dried over anhydrous Mg2S04 and concentrated under reduced pressure. The obtained residue was subjected to column chromatography using silica gel and eluted with ethyl acetate-methanol (1: 0-4:1) to give the title compound (150 mg, 61%) as an amorphous form. ¹H-NMR (CDCl3) No.: 1.25-2.50 (11H, m) , 2.96-2.99 (lH, m), 3.34-3.42 (5H, m), 3.54-3.57 (2H, m), 3.70-3. 72 (1H, m), 4.17 (lH, m), 4.30 (lH, m), 5.64 (lH, d, J=6.6 Hz), 6.52 (1H, d, J=7.5 Hz), 6.68 (1H, dd, J=7.5,7.5 Hz), 7.02 (lH, dd, J=7.5,7.5 Hz), 7.15-7.20 (2H, m), 7.36 (lH, d, J=7.5 Hz), 7.42 (lH, d, J=7.5 Hz), 7.83-7.93 (4H, m). LC/MS (ESI) m/z: 514 (MH(at)).

Reference： [1]Patent: WO2005/105802,2005,A1 .Location in patent: Page/Page column 259-260

11
[ 108035-45-6 ]
[ 1022158-41-3 ]

Yield	Reaction Conditions	Operation in experiment
84%		A. (4-(lH-Imidazol-2-yl)phenyI)methanol.; 4-(lH-Imidazol-2-yl)benzoic acid (2.05 g, 10.9 mmol) was suspended in anhydrous tetrahydrofuran (60 mL) and cooled to -78 0C. A solution of lithium aluminum hydride (2.0M, 21.8 mL, 43.6 mmol) was added and the reaction was allowed to slowly warm to room temperature with stirring overnight. The reaction was quenched with methanol and the crude product adsorbed onto silica gel. Flash Chromatography (20% MeOH in EtOAc) afforded the title compound (1.6 g, 9.19 mmol, 84%) as a white solid. MS (ESI) m/z 175.1 [M+ 1]+.

Reference： [1]Patent: WO2008/51494,2008,A1 .Location in patent: Page/Page column 163

12
[ 108035-45-6 ]
[ 7646-85-7 ]
[Zn(4-(1H-imidazol-2-yl)benzoate)₂]_n [ No CAS ]

Reference： [1]Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry,2013,vol. 43,p. 705 - 709

13
[ 61981-79-1 ]
[ 108035-45-6 ]
C₂₁H₂₀N₄O [ No CAS ]

Reference： [1]Molecular Pharmaceutics,2018,vol. 15,p. 5809 - 5817

14
[ 108035-45-6 ]
[ 2840561-53-5 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: thionyl chloride / 0 - 30 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 0 °C 3.1: sodium hydride / N,N-dimethyl-formamide / 30 min / 0 °C 3.2: 2 h / 0 °C

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - WO2022/197763, 2022, A1

15
[ 108035-45-6 ]
[ 2840561-54-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1.1: thionyl chloride / 0 - 30 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 0 °C 3.1: sodium hydride / N,N-dimethyl-formamide / 30 min / 0 °C 3.2: 2 h / 0 °C 4.1: ethanol / 80 °C

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - WO2022/197763, 2022, A1

16
[ 108035-45-6 ]
[ 2840561-55-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1.1: thionyl chloride / 0 - 30 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 0 °C 3.1: sodium hydride / N,N-dimethyl-formamide / 30 min / 0 °C 3.2: 2 h / 0 °C 4.1: ethanol / 80 °C 5.1: acetic acid; iron / ethanol; water / 4 h / 60 °C

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - WO2022/197763, 2022, A1

17
[ 108035-45-6 ]
[ 2840559-67-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1.1: thionyl chloride / 0 - 30 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 0 °C 3.1: sodium hydride / N,N-dimethyl-formamide / 30 min / 0 °C 3.2: 2 h / 0 °C 4.1: ethanol / 80 °C 5.1: acetic acid; iron / ethanol; water / 4 h / 60 °C 6.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 25 °C

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - WO2022/197763, 2022, A1

18
[ 108035-45-6 ]
[ 2892306-66-8 ]
[ 2892306-93-1 ]

Yield	Reaction Conditions	Operation in experiment
	With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In dichloromethane; ethyl acetate at 20℃;	24.1 Step 1: preparation of 6-(((S)-1-(4-(1H-imidazol-2-yl)benzoyl)piperidin-3-yl)amino)-4-(1H-indol-3-yl )-1,7-naphthyridine-3-carbonitrile 4-(1H-Indol-3-yl)-6-((S)-piperidin-3-ylamino)-1,7-naphthyridine-3-carbonitrile (190 mg, 496 μmol) was dissolved in DCM ( 2 mL) and then DIPEA (50.5 mg, 390 μmol, 68.0 μL), 4-(1H-imidazol-2-yl)benzoic acid (14.7 mg, 78.1 μmol) and tri-n-propylcyclophosphoric anhydride 50% ethyl acetate were added in one portion solution (62.1 mg, 97.7 μmol, 58.1 μL, 50% purity), after addition, the reaction system reacted at room temperature for 16 hours. After the reaction was complete, the reaction solution was concentrated, and the crude product was separated and purified by high-pressure preparation to obtain the compound of Example 24.

Reference： [1]Current Patent Assignee: SINOCABER PHARMACEUTICAL CHENGDU - CN115583946, 2023, A Location in patent: Paragraph 0336-0342

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Ghs Precautionary Statements

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P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 108035-45-6 ] {[proInfo.proName]}

Quality Control of [ 108035-45-6 ]

Related Doc. of [ 108035-45-6 ]

Product Details of [ 108035-45-6 ]

Calculated chemistry of [ 108035-45-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 108035-45-6 ]

Application In Synthesis of [ 108035-45-6 ]

[ 108035-45-6 ] Synthesis Path-Upstream 1~1

[ 108035-45-6 ] Synthesis Path-Downstream 1~18

Related Functional Groups of [ 108035-45-6 ]

Aryls

Carboxylic Acids

Related Parent Nucleus of [ 108035-45-6 ]

Imidazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 108035-45-6 ]

Related Parent Nucleus of
[ 108035-45-6 ]