N,N-bis(2-Chloroethyl)-p-phenylene diamine supplier

Name
phenylenediamine mustard
EINECS
CAS No. 2067-58-5
Article Data21
CAS DataBase
Density 1.256g/cm³
Solubility
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
Appearance
Safety Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits very toxic fumes of Cl⁻ and NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 29.26000
LogP 3.13400

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:
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 NO_x.

Product Name

phenylenediamine mustard

N,N-bis(2-Chloroethyl)-p-phenylene diamine Chemical Properties

N,N-bis(2-Chloroethyl)-p-phenylene diamine Toxicity Data With Reference

N,N-bis(2-Chloroethyl)-p-phenylene diamine Safety Profile

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