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.)

Flash point:

>230 °F

storage temp. 

2-8°C

solubility 

soluble in Chloroform, Ethyl Acetate

pka

3.61±0.10(Predicted)

form 

Liquid

Specific Gravity

1.174

color 

Clear yellow to brown

Water Solubility 

insoluble

Sensitive 

Air Sensitive

BRN 

1071790

InChI

1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

InChIKey

UIJGNTRUPZPVNG-UHFFFAOYSA-N

SMILES

SC(=O)c1ccccc1

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 

TSCA listed

HS Code 

29309070

Storage Class

10 - Combustible liquids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:Thiobenzoic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

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

Synthesis

To a solution of N,N-dimethylthioformamide (1.0 mmol) in THF (1.0 mL) was added a 1.0 M phenyl lithium cyclohexane-Et2O solution (1.0 mL, 1.0 mmol) at -78??C. After the addition was complete, the mixture was stirred for 0.5 h at room temperature. A 0.93 M THF solution of phenylmagnesium bromide (1.0 mmol) was added to the mixture at room temperature. This mixture was stirred at reflux for 2 hours. Benzoyl chloride (1.0 mmol) was added to the mixture. The reaction mixture was stirred again for 2 hours at room temperature. The resulting mixture was poured into saturated aqueous NH4Cl solution. The organic and aqueous layers were separated. The aqueous layer was acidified with aqueous HCl solution (1N, 10 mL). Extracted the aqueous layer with Et2O to obtain organic layer II. dried organic layer II on MgSO4. vacuum concentrated organic layer II to obtain thiobenzoic acid.

Thiobenzoic acid(98-91-9)Related Product Information

• Folic acid
• Sodium thiosulfate
• Ethyl 2-(Chlorosulfonyl)acetate
• Thioacetic acid
• 2-Thiobarbituric acid
• Thioacetamide
• Glycine
• Ammonium thiosulfate
• Citric acid
• Ascoric Acid
• Ethyl thiooxamate
• Furfuryl thioacetate
• S-ETHYL THIOPROPIONATE
• S-N-PROPYL THIOACETATE
• Methyl 2-thiofuroate
• Furfuryl thioformate
• THIOMORPHOLINE 1,1-DIOXIDE HYDROCHLORIDE
• Ethanethioic acid S-ethyl ester