776-04-5

Name 2-(Trifluoromethyl)benzenesulfonyl chloride
CAS 776-04-5
EINECS(EC#) 1533716-785-6
Molecular Formula C7H4ClF3O2S
MDL Number MFCD00051696
Molecular Weight 244.62
MOL File 776-04-5.mol
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Chemical Properties

Appearance clear colorless to yellow liquid
Melting point  25°C
Boiling point  133-135 °C14 mm Hg(lit.)
density  1.585 g/mL at 25 °C(lit.)
refractive index  n20/D 1.503(lit.)
Fp  >230 °F
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
form  clear liquid
color  Colorless to Light yellow to Light orange
Specific Gravity 1.585
Sensitive  Moisture Sensitive
Detection Methods GC,NMR
BRN  2651854
InChI InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey ZIZGWNOAHUCACM-UHFFFAOYSA-N
SMILES C1(S(Cl)(=O)=O)=CC=CC=C1C(F)(F)F
CAS DataBase Reference 776-04-5(CAS DataBase Reference)
NIST Chemistry Reference o-Trifluoromethylbenzenesulfonyl chloride(776-04-5)
Storage Precautions Moisture sensitive;Store under nitrogen
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Safety Data

Symbol(GHS)  Corrosion (GHS05)
GHS05
Signal word  Danger
Hazard statements  H314
Precautionary statements  P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Hazard Codes  C
Risk Statements 
R34:Causes burns.
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  UN 3265 8/PG 2
WGK Germany  3
Hazard Note  Corrosive/Moisture Sensitive
REACH Registrations Active
HazardClass  8
PackingGroup  II
HS Code  29049090
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Eye Dam. 1
Skin Corr. 1B

Hazard Information

Material Safety Data Sheet(MSDS)

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