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Cas Database |
| Name |
N,N-bis(2-Chloroethyl)-p-phenylene diamine |
EINECS | N/A |
| CAS No. | 2067-58-5 | Density | 1.256g/cm3 |
| PSA | 29.26000 | LogP | 3.13400 |
| Solubility | N/A | Melting Point |
220 °C (decomp) |
| Formula | C10H14Cl2N2 | Boiling Point | 365.8°C at 760 mmHg |
| Molecular Weight | 233.141 | Flash Point | 175°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits very toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N,N-bis-(2-chloro-ethyl)-p-phenylenediamine;Phenylenediamine mustard;N,N-Bis-(2-chlor-aethyl)-p-phenylendiamin;N,N-BIS(2-CHLOROETHYL)-P-PHENYLENE DIAMINE;N,N-di(2-chloroethyl)-4-phenylenediamine;N1,N1-bis(2-chloroethyl)benzene-1,4-diamine;1N,1N-di(2-chloroethyl)-1,4-benzenediamine; |
Article Data | 21 |
N,N-bis(2-Chloroethyl)-p-phenylene diamine Chemical Properties
IUPAC Name: 1-N,1-N-bis(2-Chloroethyl)benzene-1,4-diamine
Synonyms of N,N-bis(2-Chloroethyl)-p-phenylene diamine (CAS NO.2067-58-5): N,N-Bis(2-chloroethyl)-p-phenylenediamine ; N,N-Di(2-chloroethyl)-p-phenylenediamine ; N-(p-Amino-phenyl)-2,2'-dichlorodiethylamine ; N-(p-Amino-phenyl)-nitrogen mustard ; p-Aminophenyl derivative of nitrogen mustard ; p-Phenylenediamine, N,N-bis(2-chloroethyl)-
CAS NO: 2067-58-5
Molecular Formula: C10H14Cl2N2
Molecular Weight: 233.1376
Molecular Structure: .png)
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 6.48 Å2
Index of Refraction: 1.603
Molar Refractivity: 63.76 cm3
Molar Volume: 185.4 cm3
Surface Tension: 49.3 dyne/cm
Density: 1.256 g/cm3
Flash Point: 175 °C
Enthalpy of Vaporization: 61.21 kJ/mol
Boiling Point: 365.8 °C at 760 mmHg
Vapour Pressure: 1.53E-05 mmHg at 25°C
SMILES: ClCCN(c1ccc(cc1)N)CCCl
InChI: InChI=1/C10H14Cl2N2/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8,13H2
InChIKey: HWAVIYAFGOQVNJ-UHFFFAOYAV
Std. InChI: InChI=1S/C10H14Cl2N2/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8,13H2
Std. InChIKey: HWAVIYAFGOQVNJ-UHFFFAOYSA-N
N,N-bis(2-Chloroethyl)-p-phenylene diamine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 7927ug/kg (7.927mg/kg) | Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965. | |
| mouse | LD50 | subcutaneous | 15mg/kg (15mg/kg) | Journal of Embryology and Experimental Morphology. Vol. 9, Pg. 492, 1961. | |
| rat | LD50 | intraperitoneal | 2200ug/kg (2.2mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Doklady Bolgarskoi Akademii Nauk. Vol. 33, Pg. 1005, 1980. |
N,N-bis(2-Chloroethyl)-p-phenylene diamine Safety Profile
Poison by intraperitoneal route. An experimental teratogen. When N,N-bis(2-Chloroethyl)-p-phenylene diamine (CAS NO.2067-58-5) is heated to decomposition, it emits very toxic fumes of Cl− and NOx.
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