[ CAS No. 917111-44-5 ] {[proInfo.proName]}

Name: 917111-44-5|(S)-1-Ethyl-3-(2-methoxy-4-(5-methyl-4-((1-(pyridin-3-yl)butyl)amino)pyrimidin-2-yl)phenyl)urea|98+%
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Quality Control of [ 917111-44-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 917111-44-5 ]

Product Details of [ 917111-44-5 ]

CAS No. :	917111-44-5	MDL No. :	MFCD18206787
Formula :	C₂₄H₃₀N₆O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MTJHLONVHHPNSI-IBGZPJMESA-N
M.W :	434.53	Pubchem ID :	11351021
Synonyms :		Chemical Name :	(S)-1-Ethyl-3-(2-methoxy-4-(5-methyl-4-((1-(pyridin-3-yl)butyl)amino)pyrimidin-2-yl)phenyl)urea

Calculated chemistry of [ 917111-44-5 ]

Physicochemical Properties

Num. heavy atoms :	32
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.33
Num. rotatable bonds :	11
Num. H-bond acceptors :	5.0
Num. H-bond donors :	3.0
Molar Refractivity :	127.25
TPSA :	101.06 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.78
Log Po/w (XLOGP3) :	3.6
Log Po/w (WLOGP) :	4.24
Log Po/w (MLOGP) :	2.17
Log Po/w (SILICOS-IT) :	3.83
Consensus Log Po/w :	3.52

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.49
Solubility :	0.014 mg/ml ; 0.0000322 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.41
Solubility :	0.00169 mg/ml ; 0.0000039 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.86
Solubility :	0.000000598 mg/ml ; 0.0000000014 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	3.93

Safety of [ 917111-44-5 ]

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 [ 917111-44-5 ]

* 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 [ 917111-44-5 ]
Downstream synthetic route of [ 917111-44-5 ]

[ 917111-44-5 ] Synthesis Path-Upstream 1~1

1
[ 854074-39-8 ]
[ 917111-46-7 ]
[ 917111-44-5 ]

Yield	Reaction Conditions	Operation in experiment
57%	With potassium carbonate In propan-1-ol; water; toluene at 100℃; for 17 h;	EXAMPLE 18 N-Ethyl-N'-[2-methoxy-4-(5-methyl-4-[(1S)-1-pyridin-3-ylbutyl]amino}pyrimidin-2- yl)phenyl]urea Under a nitrogen atmosphere a mixture of 2-chloro-5-methyl-N-[(1S)-1-pyridin-3- ylbutyl] pyrimidin-4-amine (277 mg, 1.0 mmol) 4-[(ethylamino) carbonyl] amino}-3- methoxyphenylboronic acid pinacol diester (416 mg, 1.3 mmol), tetrakis (triphenylphosphine) palladium (0) (116 mg, 0.1 mmol) in toluene-n-propanol (12 mL, 3: 1) was treated with 2M aqueous sodium carbonate solution (750 uL, 1.5 mmol). The resulting mixture was stirred vigorously whilst being heated at 100 °C for 17 hours. Once cool ethyl acetate (25 mL) was added and the mixture washed with Ha0 (6 x 15 mL), brine (20 mL) and dried (Na2SO4). Removal of solvent in vacuo then yielded crude product, which was purified by column chromatography using dichloromethane-methanol- aqueous ammonia (93: 7: 1) as eluent to furnish the product (110 mg, 57percent). lH-n. m. r. (CDCl3) 8 0.99 (t, 3H,/=7. 4 Hz, CH3), 1.18 (t, 3H,/= 7.2 Hz, CH3), 1.33-1. 60 (m, 2H, CH2), 1.82-2. 02 (m, 2H, CH2), 2.11 (s, 3H, Ar-Me), 3.25-3. 39 (m, 2H, CH2), 3.87 (s, 3H, OMe), 4. 80-4. 96 (m, 2H, 2 x NH), 5.26-5. 36 (m, 1H, CH), 6.98 (br s, 1H, Ar-NHCONH), 7.22-7. 28 (m, 1H, ArH), 7. 67-7.72 (m, 2H, ArH), 7.83-7. 88 (m, 1H, ArH), 8.05 (d, 1H, J = 0.8 Hz, ArH), 8.10 (d, 1H, J = 8.2 Hz, ArH), 8.47 (dd, 1H, J = 6. 6,1. 8 Hz, ArH), 8. 69 (d, 1H, j= 2.0 Hz, ArH).

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 16, p. 4639 - 4642
[2] Patent: WO2005/54199, 2005, A1, . Location in patent: Page/Page column 47-48; 65; 66;

[ 917111-44-5 ] Synthesis Path-Downstream 1~6

1
[ 854074-39-8 ]
[ 917111-46-7 ]
[ 917111-44-5 ]

Yield	Reaction Conditions	Operation in experiment
57%	With potassium carbonate;tetrakis(triphenylphosphine) palladium(0); In propan-1-ol; water; toluene; at 100.0℃; for 17.0h;Product distribution / selectivity;	EXAMPLE 18 N-Ethyl-N'-[2-methoxy-4-(5-methyl-4-[(1S)-1-pyridin-3-ylbutyl]amino}pyrimidin-2- yl)phenyl]urea Under a nitrogen atmosphere a mixture of 2-chloro-5-methyl-N-[(1S)-1-pyridin-3- ylbutyl] pyrimidin-4-amine (277 mg, 1.0 mmol) 4-[(ethylamino) carbonyl] amino}-3- methoxyphenylboronic acid pinacol diester (416 mg, 1.3 mmol), tetrakis (triphenylphosphine) palladium (0) (116 mg, 0.1 mmol) in toluene-n-propanol (12 mL, 3: 1) was treated with 2M aqueous sodium carbonate solution (750 uL, 1.5 mmol). The resulting mixture was stirred vigorously whilst being heated at 100 C for 17 hours. Once cool ethyl acetate (25 mL) was added and the mixture washed with Ha0 (6 x 15 mL), brine (20 mL) and dried (Na2SO4). Removal of solvent in vacuo then yielded crude product, which was purified by column chromatography using dichloromethane-methanol- aqueous ammonia (93: 7: 1) as eluent to furnish the product (110 mg, 57%). lH-n. m. r. (CDCl3) 8 0.99 (t, 3H,/=7. 4 Hz, CH3), 1.18 (t, 3H,/= 7.2 Hz, CH3), 1.33-1. 60 (m, 2H, CH2), 1.82-2. 02 (m, 2H, CH2), 2.11 (s, 3H, Ar-Me), 3.25-3. 39 (m, 2H, CH2), 3.87 (s, 3H, OMe), 4. 80-4. 96 (m, 2H, 2 x NH), 5.26-5. 36 (m, 1H, CH), 6.98 (br s, 1H, Ar-NHCONH), 7.22-7. 28 (m, 1H, ArH), 7. 67-7.72 (m, 2H, ArH), 7.83-7. 88 (m, 1H, ArH), 8.05 (d, 1H, J = 0.8 Hz, ArH), 8.10 (d, 1H, J = 8.2 Hz, ArH), 8.47 (dd, 1H, J = 6. 6,1. 8 Hz, ArH), 8. 69 (d, 1H, j= 2.0 Hz, ArH).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 4639 - 4642
[2]Patent: WO2005/54199,2005,A1 .Location in patent: Page/Page column 47-48; 65; 66;

2
[ 917111-44-5 ]
[ 144-62-7 ]
[ 917111-53-6 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol;	EXAMPLE 5; Synthesis of Oxalic Acid Addition SaltThe oxalic acid addition salt is prepared from N-ethyl-N'-[2-methoxy-4-(5-methyl-4-{ [(1S)- l-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea by the addition of 0.5 equivalents of a solution of oxalic acid in methanol to the free base dissolved in methanol. The methanol is removed in vacuo and the resulting solid triturated with ether and petroleum spirit.The crystal form of N-ethyl-N'-[2-methoxy-4-(5-methyl-4-[(lS)-l-rhoyridin-3- ylbutyl]amino}pyrimidin-2-yl)phenyl]urea mono-oxalate salt is characterised as a pale yellow solid and is not hygroscopic. The structure was confirmed by 1H- and 13C- nuclear magnetic resonance spectroscopy and mass spectrometry.1H-n.m.r. (DMSO-d6) 50.93 (t, 3H, J= 7.2 Hz), 1.06 (t, 3H, J= 7.2 Hz), 1.25-1.37 (m, IH), 1.41-1.54 (m, IH), 1.74-1.86 (m, IH), 1.98-2.07 (m, IH), 2.13 (d, 3H, J = 0.6 Hz), 3.07- 3.14 (m, 2H), 3.94 (s, 3H), 5.29-5.36 (m, IH), 6.93 (t, IH, J = 5.4 Hz), 7.32-7.36 (m, 2H), 7.72-7.77 (m, 2H), 7.86-7.90 (m, IH), 8.00 (d, IH, J = 0.9 Hz), 8.03 (s, IH), 8.18 (d, IH, J = 8.4 Hz), 8.39 (dd, IH, J= 4.8, 1.5 Hz), 8.74 (d,.lH, J= 1.8 Hz).13C-n.m.r. (DMSO-d6) 813.4, 13.5, 15.2, 19.3, 33.7, 37.7, 52.3, 55.6, 108.9, 111.6, 117.0, 120.2, 123.4, 129.1, 131.8, 133.9, 139.9, 146.6, 147.6, 148.3, 151.2, 154.6, 159.4, 160.0, 161.6.

Reference： [1]Patent: WO2006/133498,2006,A1 .Location in patent: Page/Page column 11

3
[ 917111-44-5 ]
[ 75-75-2 ]
N-ethyl-N'-[2-methoxy-4-(5-methyl-4-[(1S)-1-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea di-methanesulfonate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran; methanol;	EXAMPLE 4; Synthesis of Di-methanesulfonic Acid Addition SaltThe di-methanesulfonic acid addition salt is prepared from N-ethyl-N'-[2-methoxy-4~(5- methyl-4-[(lS)-l-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea by the addition of 2.0 equivalents of a solution of methanesulfonic acid in tetrahydrofuran to the free base dissolved in methanol. The methanol is removed in vacuo and the resulting solid triturated with ether and petroleum spirit.The crystal form of N-ethyl-N'-[2-methoxy-4-(5-methyl-4-[(lS)-l-pyridm-3- ylbutyl]amino}pyrimidin-2-yl)phenyl]urea di-methanesulfonate salt is characterised as a yellow solid and is not hygroscopic. The structure was confirmed by 1H- and 13C- nuclear magnetic resonance spectroscopy and mass spectrometry.1H-n.m.r. (DMSO-d6) 60.96 (t, J= 7.2 Hz, 3H), 1.07 (t, J= 7.2 Hz, 3H), 1.27-1.41 (m, IH), 1.49-1.61 (m, IH), 1.87-1.99 (m, IH), 2.11-2.24 (m, IH), 2.29 (s, 3H), 2.43 (s, 6H), 3.12 (q, J= 7.2 Hz, 2H), 3.97 (s, 3H), 5.67-5.75 (m, IH), 7.13 (br s, IH), 7.66 (d, / = 1.8 Hz, IH), 7.79 (dd, J = 8.7, 1.8 Hz, IH), 8.10 (dd, J = 8.1, 5.7 Hz, IH), 8.19 (d, /= 0.9 Hz, IH), 8.34 EPO <DP n="12"/>(s, IH), 8.38 (d, J = 8.7 Hz, IH), 8.79 (d, J = 8.4 Hz, IH), 8.85 (d, J= 5.4 Hz, IH), 8.97 (d, J 7.5 Hz, IH), 9.14 (s, IH).

Reference： [1]Patent: WO2006/133498,2006,A1 .Location in patent: Page/Page column 10-11

4
[ 917111-44-5 ]
[ 87-69-4 ]
N-ethyl-N'-[2-methoxy-4-(5-methyl-4-[(1S)-1-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea tartrate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In methanol;	EXAMPLE 6; Synthesis of Tartaric Acid Addition SaltThe tartaric acid addition salt is prepared from N-ethyl-N'-[2-methoxy-4-(5-methyl-4- [(lS)-l-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea by the addition of 0.5 equivalents of a solution of tartaric acid in methanol to the free base dissolved in methanol. The methanol is removed in vacuo and the resulting solid triturated with ether and petroleum spirit. EPO <DP n="13"/>The crystal form of N-ethyl-N'-[2-methoxy-4-(5-methyl-4-{ [(lS)-l-pyridin-3- ylbutyl]amino}pyrimidin-2-yl)phenyl]urea tartrate salt is characterised as a pale yellow solid and is not hygroscopic. The structure was confirmed by 1H- and 13C- nuclear magnetic resonance spectroscopy and mass spectrometry.lH-n.m.r. (DMSO-d6) deltatheta.93 (t, 3H, J = 7.2 Hz), 1.06 (t, 3H, J = 7.2 Hz), 1.25-1.37 (m, IH), 1.41-1.54 (m, IH), 1.72-1.84 (m, IH), 1.97-2.07 (m, IH), 2.12 (s, 3H), 3.06-3.15 (m, 2H), 3.93 (s, 3H), 4.30 (s, 2H), 5.26-5.33 (m, IH), 6.90 (t, IH, J = 5.4 Hz), 7.06 (d, IH, J= 7.5 Hz), 7.32 (dd, IH, J = 7.8, 4.8 Hz), 7.74-7.77 (m, 2H), 7.85-7.88 (m, IH), 7.97 (br s, 2H), 8.15 (d, IH, J = 8.7 Hz), 8.38 (d, IH, J = 3.3 Hz), 8.74 (br s, IH).

Reference： [1]Patent: WO2006/133498,2006,A1 .Location in patent: Page/Page column 11-12

5
[ 917111-44-5 ]
[ 77-92-9 ]
[ 917111-47-8 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol;	EXAMPLE 2; EPO <DP n="10"/>Synthesis of Citric Acid Addition SaltThe citric acid addition salt is prepared from N-ethyl-N'-[2-methoxy-4-(5-methyl-4-[(lS)- l-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea by the addition of 0.66 equivalents of a solution of citric acid in methanol to the free base dissolved in methanol. The methanol is removed in vacuo and the resulting solid triturated with ether and petroleum spirit.The crystal form of N-ethyl-N'-[2-methoxy-4-(5-methyl-4-[(lS)-l-pyridin-3- ylbutyl]amino}pyrimidin-2-yl)phenyl]urea citrate salt is characterised as a pale yellow solid and is not hygroscopic. The structure was confirmed by 1H- and 13C- nuclear magnetic resonance spectroscopy and mass spectrometry.1H-n.m.r. (DMSO-d6) deltatheta.93 (t, 3H, J = 7.2 Hz), 1.06 (t, 3H, J= 7.2 Hz), 1.23-1.37 (m, IH), 1.41-1.54 (m, IH), 1.73-1.84 (m, IH), 1.96-2.08 (m, IH), 2.12 (s, 3H), 2.64 and 2.74 (AB quartet, 2.6H, J = 15.3Hz), 3.07-3.18 (m, 2H), 3.93 (s, 3H), 5.26-5.34 (m, IH), 6.91 (t, IH, J = 5.4 Hz), 7.10 (d, IH, J = 7.2 Hz), 7.32 (ddd, IH, J= 7.8, 4.8, 0.6 Hz), 7.74-7.77 (m, 2H), 7.85-7.89 (m, IH), 7.97-7.98 (m, 2H) 8.15 (d, IH, J= 8.4 Hz), 8.38 (dd, IH, J = 4.8, 1.8 Hz), 8.73 (d, IH, J= 1.8 Hz).13C-n.m.r. (DMSO-d6) 513.5, 13.6, 15.1, 19.3, 33.8, 37.9, 42.7, 52.1, 55.5, 72.2, 108.9, 111.4, 116.7, 120.0, 123.3, 130.4, 131.3, 133.7, 140.1, 146.6, 147.6, 148.4, 152.9, 154.7, 159.8, 160.1, 171.1, 174.6.;

Reference： [1]Patent: WO2006/133498,2006,A1 .Location in patent: Page/Page column 9

6
[ 917111-44-5 ]
N-ethyl-N'-[2-methoxy-4-(5-methyl-4-[(1S)-1-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea dihydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In ethanol;	EXAMPLE 3; Synthesis of Dihydrochloride Acid Addition SaltThe hydrochloric acid addition salt is prepared from the material prepared as described above through the addition of excess ethanolic hydrogen chloride and subsequent crystallization with a solvent such as methyl acetate.The crystal form of N-ethyl-N'-[2-methoxy-4-(5-methyl-4-[(lS)-l-pyridin-3- ylbutyl]amino}pyrimidin-2-yl)phenyl]urea dihydrochloride salt is characterised as a pale yellow solid and is not hygroscopic (m.p. 241 - 248C) . The structure was confirmed by EPO <DP n="11"/>1H- and 13C- nuclear magnetic resonance spectroscopy, mass spectrometry, IR and UV spectroscopy as well as elemental analysis and X-ray powder diffraction analysis.Figures 1 to 3 depict respectively the X-ray powder diffraction spectra, the 1H-NMR spectrum and the 13C-NMR spectrum of the dihydrochloride salt.1H-n.m.r. (d6-DMSO) delta 0.92 (t, 3H, / = 7.5 Hz), 1.04 (t, 3H, / = 7.2 Hz), 1.13-1.38 (m, IH), 1.44-1.55 (m, IH), 1.83-1.94 (m, IH), 2.08-2.21 (m, IH), 2.27 (s, 3H), 3.08-3.12 (m, 2H), 3.97 (s, 3H), 5.63-5.66 (m, IH), 7.20 (t, IH, J = 5.4 Hz), 7.85-7.92 (m, 2H), 8.12 (s, IH), 8.34 (d, IH, J = 0.9 Hz), 8.36 (s, IH), 8.64 (d, IH, J = 8.4 Hz), 8.71 (m, IH), 9.09 (m, IH), 9.10 (m, IH).13C-n.m.r. (d6-DMSO) 5 13.42,13.66, 15.02, 19.11, 33.74, 36.65, 52.79, 56.44, 109.70, 113.67, 116.48, 121.29, 122.15, 126.98, 134.78, 140.19, 140.57, 142.76, 143.85, 146.74, 154.45, 155.00, 161.27

Reference： [1]Patent: WO2006/133498,2006,A1 .Location in patent: Page/Page column 9-10

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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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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. 917111-44-5 ] {[proInfo.proName]}

Quality Control of [ 917111-44-5 ]

Related Doc. of [ 917111-44-5 ]

Product Details of [ 917111-44-5 ]

Calculated chemistry of [ 917111-44-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 917111-44-5 ]

Application In Synthesis of [ 917111-44-5 ]

[ 917111-44-5 ] Synthesis Path-Upstream 1~1

[ 917111-44-5 ] Synthesis Path-Downstream 1~6

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry