2-(Methylsulfanyl)benzoic acid

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Names

[ CAS No. ]:
3724-10-5

[ Name ]:
2-(Methylsulfanyl)benzoic acid

[Synonym ]:
2-(Methylthio)benzoic Acid
2-methylsulfanylbenzoic acid
2-(Methylsulfanyl)benzoic acid
MFCD00029934
Benzoic acid, 2-(methylthio)-

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
297.4±23.0 °C at 760 mmHg

[ Melting Point ]:
169-173 °C(lit.)

[ Molecular Formula ]:
C8H8O2S

[ Molecular Weight ]:
168.213

[ Flash Point ]:
133.7±22.6 °C

[ Exact Mass ]:
168.024506

[ PSA ]:
62.60000

[ LogP ]:
2.58

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.613

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH4390000
CHEMICAL NAME :
Benzoic acid, o-(methylthio)-
CAS REGISTRY NUMBER :
3724-10-5
BEILSTEIN REFERENCE NO. :
0972385
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H8-O2-S
MOLECULAR WEIGHT :
168.22
WISWESSER LINE NOTATION :
QVR BS1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
BSRSA6 Bulletin de la Societe Royale des Sciences de Liege. (Societe Royale des Sciences de Liege, Universite de Liege, 15, Ave des Tilleuls, B-4000 Liege, Belgium) V.1- 1932- Volume(issue)/page/year: 47,202,1978
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2250 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
BSRSA6 Bulletin de la Societe Royale des Sciences de Liege. (Societe Royale des Sciences de Liege, Universite de Liege, 15, Ave des Tilleuls, B-4000 Liege, Belgium) V.1- 1932- Volume(issue)/page/year: 47,202,1978

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH4390000

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiosalicylic acid
  • methyl iodide
  • Potassium methoxide
  • Carbon dioxide
  • o-Bromo(methylthio)benzene
  • 4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
  • Dimethyl disulfide
  • benzoic acid
  • Dimethyl Carbonate
  • Benzoic acid,2-(methylsulfinyl)-

DownStream

  • 4-Methylsulfonyl benzoic acid
  • 2-methylsulfanylbenzoyl chloride
  • Benzoic acid,2-(methylthio)-, ethyl ester
  • Methyl 2-(methylsulfanyl)benzoate
  • Thiaxanthone
  • 2-phenylsulfanyl-benzoic acid methyl ester
  • 2-(Methylsulfonyl)benzaldehyde
  • 2-(methylthio)benzonitrile
  • 2-(METHYLTHIO)BENZALDEHYDE
  • 1-Benzothiophene-3-ol

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

  • 3-Bromo-2-(methylsulfanyl)benzoic acid
  • 5-Chloro-2-(methylsulfanyl)benzoic acid
  • 4-methyl-2-(methylsulfanyl)benzoic acid
  • 4-methyl-2-(methylsulfanyl)benzoic acid
  • 3-Fluoro-2-(methylsulfanyl)benzoic acid
  • 5-Fluoro-2-(methylsulfanyl)benzoic acid
  • rac-tert-butyl (3R,4S)-3-(1-ethyl-1H-pyrazol-4-yl)-4-hydroxypyrrolidine-1-carboxylate
  • rac-tert-butyl (3R,4R)-3-hydroxy-4-(pyrazin-2-yl)pyrrolidine-1-carboxylate
  • 1-(2,2-Difluoropropyl)-3-methylcyclobutane-1-carboxylic acid
  • 1-{1-Azaspiro[3.3]heptan-1-yl}-3-fluoropropan-2-ol
  • 2-(3-Fluoro-4-methylphenyl)cyclobutan-1-ol
  • 2-[(2-Fluorophenyl)methyl]cyclobutan-1-ol
  • 2-(2,3-Difluorophenyl)cyclobutan-1-ol
  • Tert-butyl 3-(5-chlorothiophen-2-yl)-4-hydroxypyrrolidine-1-carboxylate
  • 1-(Chloromethyl)-1-(2-methoxy-2-methylpropyl)-2-methylcyclopropane
  • 5-[(3,3-Difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-ol
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