ChemicalBook--->CAS DataBase List--->2991-42-6

2991-42-6

2991-42-6 Structure

2991-42-6 Structure
IdentificationMore
[Name]

4-(Trifluoromethyl)benzene-1-sulfonyl chloride
[CAS]

2991-42-6
[Synonyms]

4-(TRIFLUOROMETHYL)BENZENE-1-SULFONYL CHLORIDE
4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE
4-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE
ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE-4-SULFONYL CHLORIDE
BUTTPARK 52\11-36
P-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE
4-(Trifluoromethyl)benzenesulphonyl chloride 98%
4-(Trifluoromethyl)benzenesulphonylchloride98%
4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE 98%
4-(TRIFLUOROMETHYL)BENZENESULFONYCHLORIDE
[EINECS(EC#)]

628-503-6
[Molecular Formula]

C7H4ClF3O2S
[MDL Number]

MFCD00042422
[Molecular Weight]

244.62
[MOL File]

2991-42-6.mol
Chemical PropertiesBack Directory
[Appearance]

White ro pale yellow low melting solid
[Melting point ]

30-34 °C(lit.)
[Boiling point ]

76 °C
[density ]

1.532±0.06 g/cm3(Predicted)
[Fp ]

220 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Low Melting Solid
[color ]

White to pale yellow
[Sensitive ]

Moisture Sensitive
[BRN ]

2113604
[InChI]

InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H
[InChIKey]

OZDCZHDOIBUGAJ-UHFFFAOYSA-N
[SMILES]

C1(S(Cl)(=O)=O)=CC=C(C(F)(F)F)C=C1
[CAS DataBase Reference]

2991-42-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R14:Reacts violently with water.
R34:Causes burns.
[Safety Statements ]

S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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 3261 8/PG 2
[WGK Germany ]

3
[Hazard Note ]

Corrosive/Moisture Sensitive
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29049090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-(Trifluoromethyl)benzene-1-sulfonyl chloride(2991-42-6).msds
Hazard InformationBack Directory
[Chemical Properties]

White ro pale yellow low melting solid
[Uses]

4-(Trifluoromethyl)benzenesulfonyl chloride may be used to synthesize β-arylated thiophenes and 2,5-diarylated pyrrolevia palladium catalyzed desulfitative arylation of thiophenes and pyrroles, respectively.
4-(Trifluoromethyl)benzenesulfonyl chloride and N-vinylpyrrolidinone in acetonitrile can undergo photo-irradiation with visible light in the presence of Ir(ppy)2(dtbbpy)PF6 ([4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis[2-(2-pyridinyl-N)phenyl-C]iridium(III)hexafluorophosphate) and disodium phosphate to give the corresponding E-vinyl sulfone.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Trifluoromethyl)benzene-1-sulfonyl chloride(2991-42-6)1HNMR
4-(Trifluoromethyl)benzene-1-sulfonyl chloride(2991-42-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(Trifluoromethyl)benzenesulfonyl chloride, 98%(2991-42-6)
[Alfa Aesar]

4-(Trifluoromethyl)benzenesulfonyl chloride, 98%(2991-42-6)
[Sigma Aldrich]

2991-42-6(sigmaaldrich)
[TCI AMERICA]

4-(Trifluoromethyl)benzenesulfonyl Chloride,>98.0%(GC)(T)(2991-42-6)
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