1106313-72-7|5-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride| Ambeed

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

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CAS No. :	1106313-72-7
Formula :	C₇H₃Cl₂F₃O₂S
M.W :	279.06
SMILES Code :	O=S(C1=CC(Cl)=CC=C1C(F)(F)F)(Cl)=O
MDL No. :	MFCD13185472

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H314
Precautionary Statements:	P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
Class:	8
UN#:	3261
Packing Group:	Ⅲ

Yield	Reaction Conditions	Operation in experiment
		To a stirred solution of <strong>[445-14-7]2-(trifluoromethyl)-5-chloro-aniline</strong> (3.9 g, 19.5 mmol) in glacial acetic acid (120 ml) and conc. HCl (39 ml) is added sodium nitrite (1.39 g, 19.5 mmol) in water (16 ml). The reaction mixture is allowed to warm to room temperature and stirred for 3 hours, then added to a solution of SO2/AcOH/CuCl2/H2O (400 ml) (preparation of reagent described under Intermediate DI), and stirred at room temperature for 18 hours. The reaction mixture is poured onto ice/water (1.5 L), and extracted with EtOAc (3×300 ml). The combined organic layers are washed with 1N HCl and water, and dried (Na2SO4). Concentration in vacuo yields 5-Chloro-2-trifluoromethyl-benzenesulfonyl chloride.
663 mg		a) 5-chloro-2-(trifluoromethyl)benzene-1-sulfonyl Chloride Thionyl chloride (2 mL) was added dropwise to ice-cooled water (12 mL), and the mixture was stirred at 0 C. for 3 hr. To this solution was added copper(I) chloride (28 mg) to give solution A. To the ice-cooled concentrated hydrochloric acid (3 mL) was added <strong>[445-14-7]5-chloro-2-(trifluoromethyl)aniline</strong> (500 mg), and the mixture was stirred at 0 C. for 10 min. To the obtained mixture was added dropwise a solution of sodium nitrite (210 mg) in water (0.8 mL) at 0 C., and the mixture was stirred at 0 C. for 10 min. The obtained mixture was added dropwise to solution A at 0 C., and the mixture was stirred at 0 C. for 1 hr. To the reaction mixture was added water, and the mixture was extracted with ethyl acetate. The obtained organic layer was washed with water and saturated brine, dried over magnesium sulfate and concentrated to give the title compound (663 mg). 1H NMR (300 MHz, DMSO-d6) delta 7.56-7.64 (1H, m), 7.68-7.76 (1H, m), 8.04 (1H, d, J=2.4 Hz).

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CAS No.: 1106313-72-7

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CAS No.: 1106313-72-7

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[ 1106313-72-7 ] Synthesis Path-Downstream 1~1

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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Prevention
Code	Phrase
P201	Obtain special instructions before use.
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P220	Keep/Store away from clothing/combustible materials.
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P222	Do not allow contact with air.
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P263	Avoid contact during pregnancy/while nursing.
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P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
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P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
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Code	Phrase
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P304	IF INHALED:
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P320
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P321
P322
P330	Rinse mouth.
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P342	If experiencing respiratory symptoms:
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P353	Rinse skin with water/shower.
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P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
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P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P378
P380	Evacuate area.
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
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P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
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
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P401
P402	Store in a dry place.
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P411
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P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
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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
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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
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H240	Heating may cause an explosion
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H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
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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
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