Product Name

  • Name

    4-N-bis(2-chloroethyl)aminobenzoic acid

  • EINECS
  • CAS No. 1141-37-3
  • Article Data24
  • CAS DataBase
  • Density 1.339g/cm3
  • Solubility
  • Melting Point
  • Formula C11H13 Cl2 N O2
  • Boiling Point 426.6°Cat760mmHg
  • Molecular Weight 262.136
  • Flash Point 211.8°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and possibly other routes. When heated to decomposition it emits toxic fumes of Cl− and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1141-37-3 (4-N-bis(2-chloroethyl)aminobenzoic acid)
  • Hazard Symbols
  • Synonyms Benzoicacid, p-[bis(2-chloroethyl)amino]- (6CI,7CI,8CI);4-[Bis(2-chloroethyl)amino]benzoic acid; NSC 26276; p-[Bis(2-chloroethyl)amino]benzoicacid; p-[N,N-Bis(2-chloroethyl)amino]benzoic acid
  • PSA 40.54000
  • LogP 2.66880

4-(Bis(2-chloroethyl)amino)benzoic acid Chemical Properties

The Molecular Structure of  4-(Bis(2-chloroethyl)amino)benzoic acid (CAS NO.1141-37-3):

Molecular Formula: C11H13Cl2NO2
Molecular Weight: 262.132420 g/mol
Index of Refraction: 1.594
Molar Refractivity: 66.46 cm3
Molar Volume: 195.7 cm3
Surface Tension: 52.8 dyne/cm
Density: 1.339 g/cm3
Flash Point: 211.8 °C
Enthalpy of Vaporization: 71.83 kJ/mol
Boiling Point: 426.6 °C at 760 mmHg
Vapour Pressure: 4.9E-08 mmHg at 25°C 
Classification Code:Mutation data
InChI
InChI=1/C11H13Cl2NO2/c12-5-7-14(8-6-13)10-3-1-9(2-4-10)11(15)16/h1-4H,5-8H2,(H,15,16)
Smiles
c1(N(CCCl)CCCl)ccc(C(O)=O)cc1
The IUPAC of  4-(Bis(2-chloroethyl)amino)benzoic acid (CAS NO.1141-37-3) is 4-[bis(2-chloroethyl)amino]benzoic acid .

4-(Bis(2-chloroethyl)amino)benzoic acid Toxicity Data With Reference

1.    

ipr-rat LD50:96 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 8 (1965),167.
2.    

unr-rat LD50:63 mg/kg

     NEOLA4    Neoplasma. 27 (1980),261.
3.    

ipr-mus LD50:87 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 8 (1965),167.

4-(Bis(2-chloroethyl)amino)benzoic acid Safety Profile

Poison by intraperitoneal and possibly other routes. When heated to decomposition it emits toxic fumes of Cl− and NOx.

4-(Bis(2-chloroethyl)amino)benzoic acid Specification

 4-(Bis(2-chloroethyl)amino)benzoic acid (CAS NO.1141-37-3) is also called as 4-N-Bis(2-chloroethyl)aminobenzoic acid ; 4-14-00-01170 (Beilstein Handbook Reference) ; BRN 0988858 ; Benzoic acid nitrogen mustard ; Benzoic acid, 4-(bis(2-chloroethyl)amino)- ; NSC 26276 ; Benzoic acid, 4-(bis(2-chloroethyl)amino)- (9CI) ; Benzoic acid, p-(bis(2-chloroethyl)amino)- .

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