2-(carboxymethylthio)benzoic acid

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Names

[ CAS No. ]:
135-13-7

[ Name ]:
2-(carboxymethylthio)benzoic acid

[Synonym ]:
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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,2′-dithiodibenzoic acid
  • Chloroacetic acid
  • Anthranilic acid
  • Carbon dioxide
  • Thioanisole
  • o-Bromo(methylthio)benzene
  • Phenyldiazonium 2-carboxylate
  • Mercaptoacetic acid
  • 2-methoxycarbonylmethylsulfanyl-benzoic acid
  • Thiosalicylic acid

DownStream

  • 1-Benzothiophene-3-ol
  • BENZO[B]THIOPHENE-7-CARBOXYLIC ACID
  • METHYL 3-HYDROXYBENZO[B]THIOPHENE-2-CARBOXYLATE
  • 3-Chloro-1-benzothiophene-2-carbaldehyde
  • Benzo[b]thiophen-3(2H)-one
  • 1-benzothiophen-3-yl acetate
  • sodium 2-[3-(4-sulfonato-o-tolyliminio)-6-o-toluidino-3H-xanthen-9-yl]benzoate
  • methyl 2-(methoxycarbonylmethylsulfanyl)benzoate
  • benzoic acid

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%

Related Compounds

  • 2-[(carboxymethyl)thio]-5-nitrobenzoic acid
  • potassium,4-tert-butylbenzoate
  • Disodium hydrogen 3,5-disulphonatobenzoate
  • 2-methyl-benzoic acid benzyl ester
  • 2-methyl-benzoic acid N'-(2-chloro-benzoyl)-hydrazide
  • 2-(Bromoacetyl)benzoic acid
  • [1-(2-Chloro-6-methylphenyl)-4,4-difluorocyclohexyl]methanamine
  • 2-(4,5,6,7-tetrahydro-1H-indol-2-yl)butanoic acid
  • 2-(1-{6-Methylimidazo[2,1-b][1,3]thiazol-5-yl}cyclopropyl)acetic acid
  • 2-{1-[5-(Methoxymethyl)furan-2-yl]cyclopropyl}acetic acid
  • (2S)-2-amino-2-{5-[(dimethylamino)methyl]-1,3-thiazol-2-yl}ethan-1-ol
  • 3-(4-Ethoxy-2-methylphenoxy)azetidine
  • 5-(3-amino-1,1-difluoropropan-2-yl)-N,N-dimethylpyridin-2-amine
  • 3,3-Difluoro-3-(2-methylpyridin-4-yl)propanoic acid
  • tert-butyl N-[5-(1,1-difluoro-2-hydroxyethyl)-2-hydroxyphenyl]carbamate
  • tert-butyl N-[1-(1-hydroxycyclopropyl)propan-2-yl]-N-methylcarbamate
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