3-Chloro-2-methylbenzoic acid

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Names

[ 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%

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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...

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

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