-
Name
N,N-Bis(2-chloroethyl)-2,3-dimethoxybenzenamine
- EINECS
- CAS No. 4213-41-6
- Density 1.203g/cm3
- Solubility
- Melting Point
- Formula C12H17Cl2NO2
- Boiling Point 333.5°C at 760 mmHg
- Molecular Weight 278.178
- Flash Point 155.5°C
- Transport Information
- Appearance
- Safety Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms N,3-dimethoxyaniline;ANILINE,N,N-BIS(2-CHLOROETHYL)-2,3-DIMETHOXY;2,3-Dimethoxyaniline mustard;
- PSA 21.70000
- LogP 2.98780
N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline Chemical Properties
IUPAC Name: N,N-bis(2-Chloroethyl)-2,3-dimethoxyaniline
Synonyms of N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline (CAS NO.4213-41-6): 2,3-Dimethoxyaniline mustard ; Aniline, N,N-bis(2-chloroethyl)-2,3-dimethoxy- ; Benzenamine, N,N-bis(2-chloroethyl)-2,3-dimethoxy- (9CI)
CAS NO: 14742-53-1
Molecular Formula: C12H17Cl2NO2
Molecular Weight: 278.1749
Molecular Structure : .png)
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 21.7 Å2
Index of Refraction: 1.543
Molar Refractivity: 72.88 cm3
Molar Volume: 231.2 cm3
Surface Tension: 39.3 dyne/cm
Density: 1.203 g/cm3
Flash Point: 155.5 °C
Enthalpy of Vaporization: 57.64 kJ/mol
Boiling Point: 333.5 °C at 760 mmHg
Vapour Pressure: 0.000136 mmHg at 25°C
SMILES: ClCCN(c1cccc(OC)c1OC)CCCl
InChI: InChI=1/C12H17Cl2NO2/c1-16-11-5-3-4-10(12(11)17-2)15(8-6-13)9-7-14/h3-5H,6-9H2,1-2H3
InChIKey: JMCCVSKJZKUSTH-UHFFFAOYAR
Std. InChI: InChI=1S/C12H17Cl2NO2/c1-16-11-5-3-4-10(12(11)17-2)15(8-6-13)9-7-14/h3-5H,6-9H2,1-2H3
Std. InChIKey: JMCCVSKJZKUSTH-UHFFFAOYSA-N
N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline Safety Profile
Questionable carcinogen with experimental carcinogenic data. When N,N-Bis(2-chloroethyl)-2,3-dimethoxyaniline (CAS NO.4213-41-6) is heated to decomposition ,it emits toxic fumes of NOx.
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