3-chloro-2,5,6-trimethylbenzoic acid

Modify Date: 2024-01-14 16:21:54

3-chloro-2,5,6-trimethylbenzoic acid Structure
3-chloro-2,5,6-trimethylbenzoic acid structure
Common Name 3-chloro-2,5,6-trimethylbenzoic acid
CAS Number 18354-25-1 Molecular Weight 198.64600
Density 1.22g/cm3 Boiling Point 324.7ºC at 760 mmHg
Molecular Formula C10H11ClO2 Melting Point N/A
MSDS N/A Flash Point 150.2ºC

 Names

Name 3-chloro-2,5,6-trimethylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.22g/cm3
Boiling Point 324.7ºC at 760 mmHg
Molecular Formula C10H11ClO2
Molecular Weight 198.64600
Flash Point 150.2ºC
Exact Mass 198.04500
PSA 37.30000
LogP 2.96340
Vapour Pressure 9.88E-05mmHg at 25°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG5643500
CHEMICAL NAME :
Benzoic acid, 3-chloro-2,5,6-trimethyl-
CAS REGISTRY NUMBER :
18354-25-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H11-Cl-O2
MOLECULAR WEIGHT :
198.66
WISWESSER LINE NOTATION :
QVR CG B1 E1 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 :
562 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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07068

 Safety Information

HS Code 2916399090

 Synthetic Route

~%

3-chloro-2,5,6-trimethylbenzoic acid Structure

3-chloro-2,5,6-...

CAS#:18354-25-1

Literature: Moffett; Tang Journal of medicinal chemistry, 1968 , vol. 11, # 5 p. 1020 - 1022

 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

3-Chlor-2,5,6-trimethyl-benzoesaeure
3-Chloro-2,5,6-trimethylbenzoate
BENZOIC ACID,3-CHLORO-2,5,6-TRIMETHYL
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