Thiobenzoic acid

Thiobenzoic acid Basic information

Product Name:	Thiobenzoic acid
Synonyms:	THIOBENZOIC ACID;Acido mercaptobenzoico;acidomercaptobenzoico;Benzenecarbothioic S-acid;benzenecarbothioicacid;Benzoic acid, thio-;Benzoyl thiol;Thiobenzoate
CAS:	98-91-9
MF:	C7H6OS
MW:	138.19
EINECS:	202-712-9
Product Categories:	Organic Building Blocks;Sulfur Compounds;Thiocarbonyl Compounds
Mol File:	98-91-9.mol

Thiobenzoic acid Chemical Properties

Melting point	15-18 °C (lit.)
Boiling point	122 °C/30 mmHg (lit.)
density	1.174 g/mL at 25 °C (lit.)
refractive index	n20/D 1.605(lit.)
Fp	>230 °F
storage temp.	2-8°C
solubility	soluble in Chloroform, Ethyl Acetate
form	Liquid
pka	3.61±0.10(Predicted)
color	Clear yellow to brown
Specific Gravity	1.174
Water Solubility	insoluble
Sensitive	Air Sensitive
BRN	1071790
LogP	1.645 (est)
CAS DataBase Reference	98-91-9(CAS DataBase Reference)
NIST Chemistry Reference	Benzenecarbothioic acid(98-91-9)
EPA Substance Registry System	Benzenecarbothioic acid (98-91-9)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-28-36-24/25
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
RTECS	DH6839000
F	9-13-23
TSCA	Yes
HS Code	29309070

MSDS Information

Provider	Language
Thiobenzoic acid	English
ACROS	English
SigmaAldrich	English
ALFA	English

Thiobenzoic acid Usage And Synthesis

Chemical Properties	clear yellow to brown liquid
Uses	Organic intermediate.
Synthesis Reference(s)	Journal of the American Chemical Society, 95, p. 3440, 1973 DOI: 10.1021/ja00791a092 Organic Syntheses, Coll. Vol. 4, p. 924, 1963

Thiobenzoic acid Preparation Products And Raw materials

Raw materials	Benzenecarbothioic acid, S-(1-methyl-2-oxo-2-phenylethyl) ester-->Dibenzoic thioanhydride-->N-BENZOYLIMIDAZOLE-->Tetraphenylthiophene-->1-BENZOYL-1H-BENZOTRIZOLE 97-->Thioacetamide-->Benzene-->Benzoyl chloride-->Chlorobenzene
Preparation Products	Tiopronin

DITHIOTEREPHTHALIC ACID BENZOYLTHIOCHOLINE IODIDE Ethyl 2-(Chlorosulfonyl)acetate 4,5-BIS(BENZOYLTHIO)-1,3-DITHIOLE-2-THIONE Ascoric Acid Thiobenzoic acid Sodium thiosulfate Thioacetic acid Folic acid 2-Thiobarbituric acid Glycine S-(5-CHLORO-1,3-BENZOXAZOL-2-YL) 2-CHLOROBENZENECARBOTHIOATE Thioacetamide Ammonium thiosulfate phosphoric acid BENZOYL COENZYME A LITHIUM SALT BENFOTIAMINE Citric acid

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