3-Chloro-2-methylbenzoic acid

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Names

[ CAS No. ]:
7499-08-3

[ Name ]:
3-Chloro-2-methylbenzoic acid

[Synonym ]:
Benzoic acid, 3-chloro-2-methyl-
3-Chlor-o-toluylsaeure
2-methyl-3-chlorobenzoic acid
3-chloro-2-methyl-benzoic acid
o-Toluic acid,3-chloro
3-Chlor-2-methyl-benzoesaeure
3-Chloro-2-methylbenzoic acid
3-Chloro-o-toluic acid
Benzoic acid,3-chloro-2-methyl
MFCD00053312

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
290.9±20.0 °C at 760 mmHg

[ Melting Point ]:
163-166 °C(lit.)

[ Molecular Formula ]:
C8H7ClO2

[ Molecular Weight ]:
170.593

[ Flash Point ]:
129.7±21.8 °C

[ Exact Mass ]:
170.013458

[ PSA ]:
37.30000

[ LogP ]:
3.36

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.573

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU1645000
CHEMICAL NAME :
o-Toluic acid, 3-chloro-
CAS REGISTRY NUMBER :
7499-08-3
BEILSTEIN REFERENCE NO. :
1072826
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-Cl-O2
MOLECULAR WEIGHT :
170.60
WISWESSER LINE NOTATION :
QVR BG F1

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 :
422 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
XU1645000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Chlorobenzoic Acid
  • methyl iodide
  • 2-Methylbenzoic acid
  • 2,N-dimethyl-3-chloro-benzanilide
  • 3-Chloro-2-methylbenzamide
  • o-Chlorobenzylchloride
  • 3-Chloro-2-methylbenzonitrile
  • 3-Chloro-2-methylaniline
  • Dimethyl-[3-chlor-2-methyl-benzyl]-amin
  • 2-Chloro-6-nitrotoluene

DownStream

  • Methyl 2-(bromomethyl)-3-chlorobenzoate
  • 3-Hydroxy-2-methylbenzoic acid
  • 3-Methoxy-2-methylbenzoic acid
  • 3-Chlorophthalic Anhydride
  • 3-Chlorophthalic acid
  • (3-Chloro-2-methylphenyl)methanol
  • methyl 3-chloro-2-methylbenzoate
  • 2-(3-Chloro-2-Methylphenyl)oxazolo[4,5-b]pyridine

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Design, synthesis and SAR of piperidyl-oxadiazoles as 11β-hydroxysteroid dehydrogenase 1 inhibitors.

Eur. J. Med. Chem. 62 , 1-10, (2013)

The potential roles of 11β-HSD1 inhibitors in metabolic syndrome, T2D and obesity were well established and currently several classes of 11β-HSD1 inhibitors have been developed as promising agents aga...

Utilization of 3-chloro-2-methylbenzoic acid by Pseudomonas cepacia MB2 through the meta fission pathway.

Appl. Environ. Microbiol. 58(8) , 2501-4, (1992)

Pseudomonas cepacia MB2 grew on 3-chloro-2-methylbenzoate as a sole carbon source by metabolism through the meta fission pathway with the subsequent liberation of chloride. meta pyrocatechase activity...

Monomers and Polymers. III. A New Synthesis for α-Methylstyrenes1, 2. Bachman GB and Hellman HM.

J. Am. Chem. Soc. 70(5) , 1772-1774, (1948)


More Articles

Related Compounds

  • 4-Bromo-3-chloro-2-methylbenzoic acid
  • 6-amino-3-chloro-2-methylbenzoic acid
  • 5-bromo-3-chloro-2-methylbenzoic acid
  • 3-Chloro-2-methylbenzoic acid methyl ester
  • 3-Chloro-2-fluoro-4-methylbenzoic acid
  • 3-Chloro-2-methoxy-4-methylbenzoic acid
  • 2-{3-[Methyl(5-methylpyrimidin-2-yl)amino]piperidin-1-yl}quinoline-4-carbonitrile
  • N-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
  • 3-[4-(5-Fluoropyridin-2-yl)piperazin-1-yl]-1,2-benzothiazole
  • N-ethyl-4-methyl-6-(4-{2-methylpyrido[3,4-d]pyrimidin-4-yl}piperazin-1-yl)pyrimidin-2-amine
  • N,5-dimethyl-N-[1-(quinolin-2-yl)piperidin-3-yl]pyrimidin-2-amine
  • N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
  • N-ethyl-4-(4-{thieno[3,2-c]pyridin-4-yl}piperazin-1-yl)pyrimidin-2-amine
  • 4-(4-{Pyrido[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-6-(pyrrolidin-1-yl)pyrimidine
  • 2-(4-{Pyrido[3,4-d]pyrimidin-4-yl}piperazin-1-yl)-4-(pyrrolidin-1-yl)pyrimidine
  • N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
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