Product Name

  • Name

    [(4-chloro-2-methylphenyl)thio]acetic acid

  • EINECS
  • CAS No. 94-76-8
  • Article Data12
  • CAS DataBase
  • Density 1.36g/cm3
  • Solubility
  • Melting Point
  • Formula C9H9 Cl O2 S
  • Boiling Point 349.4°Cat760mmHg
  • Molecular Weight 216.688
  • Flash Point 165.1°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of SOx and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 94-76-8 ([(4-chloro-2-methylphenyl)thio]acetic acid)
  • Hazard Symbols
  • Synonyms Aceticacid, [(4-chloro-2-methylphenyl)thio]- (9CI); Acetic acid,[(4-chloro-o-tolyl)thio]- (6CI,7CI,8CI); (4-Chloro-o-tolylmercapto)acetic acid;Red 3B Acid; [(4-Chloro-o-tolyl)thio]acetic acid
  • PSA 62.60000
  • LogP 2.82510

Chlorotolylthioglycolic acid Chemical Properties

IUPAC Name: 2-(4-Chloro-2-methylphenyl)sulfanylacetic acid 
Following is the structure of Chlorotolylthioglycolic acid (CAS NO.94-76-8):
                  
Empirical Formula: C9H9ClO2S
Molecular Weight: 216.6846 g/mol
EINECS: 202-362-7
Density: 1.36 g/cm3
Flash Point: 165.1 °C
Index of Refraction: 1.61
Surface Tension: 55.5 dyne/cm
Enthalpy of Vaporization: 62.67 kJ/mol
Boiling Point: 349.4 °C at 760 mmHg
Vapour Pressure of Chlorotolylthioglycolic acid (CAS NO.94-76-8): 1.77E-05 mmHg at 25 °C
Canonical SMILES: CC1=C(C=CC(=C1)Cl)SCC(=O)O
InChI: InChI=1S/C9H9ClO2S/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey: GREQGIILILTWOH-UHFFFAOYSA-N

Chlorotolylthioglycolic acid Toxicity Data With Reference

1.    

ipr-mus LD50:150 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 .

Chlorotolylthioglycolic acid Consensus Reports

Reported in EPA TSCA Inventory.

Chlorotolylthioglycolic acid Safety Profile

Poison by intraperitoneal route. When heated to decomposition, Chlorotolylthioglycolic acid (CAS NO.94-76-8) emits toxic vapors of SOx and Cl−.

Chlorotolylthioglycolic acid Specification

 Chlorotolylthioglycolic acid , its cas register number is 94-76-8. It also can be called ((4-Chloro-o-tolyl)thio)acetic acid ; (4-Chloro-2-methylbenzenemercapto)acetic acid ; (4-Chloro-o-tolylmercapto)acetic acid ; 4-Chloro-2-methylphenylthioglycolic acid ; Acetic acid, ((4-chloro-2-methylphenyl)thio)- ; Acetic acid, ((4-chloro-o-tolyl)thio)- ; Acetic acid, 2-((4-chloro-2-methylphenyl)thio)- ; and 4-Chloro-o-tolylthioacetic acid .

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