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Cas Database |
| Name |
4-(Bis(2-chloroethyl)amino)benzoic acid |
EINECS | N/A |
| CAS No. | 1141-37-3 | Density | 1.339g/cm3 |
| PSA | 40.54000 | LogP | 2.66880 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H13 Cl2 N O2 | Boiling Point | 426.6°Cat760mmHg |
| Molecular Weight | 262.136 | Flash Point | 211.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and possibly other routes. When heated to decomposition it emits toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
Article Data | 24 |
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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