2-Chloro-6-methylbenzoic acid

Modify Date: 2025-08-21 23:29:17

2-Chloro-6-methylbenzoic acid Structure
2-Chloro-6-methylbenzoic acid structure
 Common Name 2-Chloro-6-methylbenzoic acid
CAS Number 21327-86-6 Molecular Weight 170.593
Density 1.3±0.1 g/cm3 Boiling Point 289.9±20.0 °C at 760 mmHg
Molecular Formula C8H7ClO2 Melting Point 103-105°C
MSDS Chinese USA Flash Point 129.2±21.8 °C

 Names

Name 2-Chloro-6-methylbenzoic acid
Synonym More Synonyms

 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
InChIKey CEFMMQYDPGCYMG-UHFFFAOYSA-N
SMILES Cc1cccc(Cl)c1C(=O)O

 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

 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%

 Synonyms

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
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