2-Chloro-6-methylbenzoic acid

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Names

[ CAS No. ]:
21327-86-6

[ Name ]:
2-Chloro-6-methylbenzoic acid

[Synonym ]:
6-chloro-2-methylbenzoic acid
o-methylbenzoic acid
2-Chloro-6-methylbenzoic acid
2-Chlor-6-methyl-benzoesaeure
Benzoic acid,6-chloro-4-methyl
6-Chlor-o-toluylsaeure
6-Chloro-o-toluic acid
o-Toluic acid,6-chloro
Benzoic acid, 2-chloro-6-methyl-
2-Chloro-6-methylbenzoicacid
MFCD00045799

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
289.9±20.0 °C at 760 mmHg

[ Melting Point ]:
103-105°C

[ Molecular Formula ]:
C8H7ClO2

[ Molecular Weight ]:
170.593

[ Flash Point ]:
129.2±21.8 °C

[ Exact Mass ]:
170.013458

[ PSA ]:
37.30000

[ LogP ]:
2.50

[ 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 :
XU1645100
CHEMICAL NAME :
o-Toluic acid, 6-chloro-
CAS REGISTRY NUMBER :
21327-86-6
LAST UPDATED :
199707
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-Cl-O2
MOLECULAR WEIGHT :
170.60

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

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RTECS ]:
XU1645100

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ZR C1 BVQ
  • 2-chloro-6-methylbenzaldehyde
  • 2-Methylbenzoic acid
  • 2-Chlorobenzoic acid
  • methyl iodide
  • Methyl 2-chloro-6-methylbenzoate
  • carbon monoxide
  • 1-Chloro-2-iodo-3-methylbenzene
  • 2-chloro-6-methylbenzonitrile
  • 2-Chloro-6-fluorobenzaldehyde

DownStream

  • Methyl 2-bromomethyl-6-chlorobenzoate
  • 2-CARBOXY-3-CHLORO-BENZENALDEHYDE
  • Duvelisib (IPI-145, INK1197)
  • 9(10H)-Acridinone,1-methyl-
  • 2-Chloro-6-methylbenzoyl Chloride
  • Methyl 2-chloro-6-methylbenzoate

Preparation


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%

Related Compounds

  • 4-Bromo-2-chloro-6-methylbenzoic acid
  • 2-CHLORO-6-FLUORO-3-METHYLBENZOIC ACID
  • 2-chloro-3,5-dimethoxy-6-methylbenzoic acid
  • 2-chloro-3,5-dimethoxy-6-methylbenzoic acid methyl ester
  • 3-[(2-Chloro-6-fluorobenzyl)amino]-2-methylbenzoic acid
  • 2-(2-chloro-4-ethoxyphenyl)-6-methylbenzoic acid