3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID

CAS No.
946-65-6
CCD No.
CCD00107324
Formula
C8 H5 F3 O2 S
MolWeight
222.186

Basic Information

Product Name: 3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID
CAS: 946-65-6
English Synonyms: 3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID ; 3-[(TRIFLUOROMETHYL)SULFANYL]BENZOIC ACID
MDL Number.: MFCD00236337
H bond acceptor: 2
H bond donor: 1
Smile: c1cc(cc(c1)SC(F)(F)F)C(=O)O
InChi: InChI=1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChiKey: InChIKey=IVGAPIVNQABETQ-UHFFFAOYSA-N

Property

Melting Point: 71-74 DEG C(LIT)
Comments: UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3

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