2-(carboxymethylthio)benzoic acid

Modify Date: 2024-01-02 14:24:40

2-(carboxymethylthio)benzoic acid Structure
2-(carboxymethylthio)benzoic acid structure
Common Name 2-(carboxymethylthio)benzoic acid
CAS Number 135-13-7 Molecular Weight 212.22200
Density 1.49 g/cm3 Boiling Point 423ºC at 760 mmHg
Molecular Formula C9H8O4S Melting Point 208 °C
MSDS N/A Flash Point 209.6ºC

 Names

Name 2-(carboxymethylsulfanyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.49 g/cm3
Boiling Point 423ºC at 760 mmHg
Melting Point 208 °C
Molecular Formula C9H8O4S
Molecular Weight 212.22200
Flash Point 209.6ºC
Exact Mass 212.01400
PSA 99.90000
LogP 1.56150
Vapour Pressure 6.55E-08mmHg at 25°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG4975500
CHEMICAL NAME :
Benzoic acid, (2-carboxymethylthio)-
CAS REGISTRY NUMBER :
135-13-7
BEILSTEIN REFERENCE NO. :
2109941
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H8-O4-S
MOLECULAR WEIGHT :
212.23
WISWESSER LINE NOTATION :
QV1SR BVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00457

 Safety Information

Hazard Codes T
Safety Phrases S22-S24/25
RTECS DG4975500
HS Code 2930909090

 Synthetic Route

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

EINECS 205-178-5
2-Carboxymethylmercapto-benzoesaeure
Acetic acid,(2-carboxyphenyl)thio
2-Carboxyphenylthioglycolic acid
2-<(carboxymethyl)thio>benzoic acid
o-Carboxyphenylthioglycollic acid
(o-Carboxyphenylthio)acetic acid
2-(Carboxymethylthio)benzoic acid
2-(3-FLUOROPHENYL)ACETOPHENONE
2-(carbomethylthio)benzoic acid
MFCD00021761
2-carboxymethylsulfanyl-benzoic acid
(S-Phenyl-thioglykolsaeure)-o-carbonsaeure