4-[bis(2-chloroethyl)amino]-2-methylbenzoic acid

Modify Date: 2025-11-19 23:02:52

4-[bis(2-chloroethyl)amino]-2-methylbenzoic acid Structure
4-[bis(2-chloroethyl)amino]-2-methylbenzoic acid structure
 Common Name 4-[bis(2-chloroethyl)amino]-2-methylbenzoic acid
CAS Number 18595-03-4 Molecular Weight 276.15900
Density 1.302g/cm3 Boiling Point 442.5ºC at 760 mmHg
Molecular Formula C12H15Cl2NO2 Melting Point N/A
MSDS N/A Flash Point 221.4ºC

 Names

Name 4-[bis(2-chloroethyl)amino]-2-methylbenzoic acid

 Chemical & Physical Properties

Density 1.302g/cm3
Boiling Point 442.5ºC at 760 mmHg
Molecular Formula C12H15Cl2NO2
Molecular Weight 276.15900
Flash Point 221.4ºC
Exact Mass 275.04800
PSA 40.54000
LogP 2.97720
Vapour Pressure 1.31E-08mmHg at 25°C
Index of Refraction 1.587
InChIKey DMKXPQIHAAYYKG-UHFFFAOYSA-N
SMILES Cc1cc(N(CCCl)CCCl)ccc1C(=O)O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU1589000
CHEMICAL NAME :
o-Toluic acid, 4-(bis(2-chloroethyl)amino)-
CAS REGISTRY NUMBER :
18595-03-4
LAST UPDATED :
199707
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H15-Cl2-N-O2
MOLECULAR WEIGHT :
276.18
WISWESSER LINE NOTATION :
QVR B1 DN2G2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
57600 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRMBAZ Farmacia (Bucharest). (Rompresfilatelia, POB 12-201, Bucharest, Romania) V.1- 1953- Volume(issue)/page/year: 17,473,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
58 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
NEOLA4 Neoplasma. (Karger-Libri, P.O. Box, CH-4009 Basel, Switzerland) V.4- 1957- Volume(issue)/page/year: 27,271,1980
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Chemsrc provides CAS#:18595-03-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-[bis(2-chloroethyl)amino]-2-methylbenzoic acid>> amp version: 4-[bis(2-chloroethyl)amino]-2-methylbenzoic acid

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