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4535-87-9

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Basic Information
CAS No.: 4535-87-9
Name: 2-chloro-N-ethylethanaminium chloride
Article Data: 5
Molecular Structure:
Molecular Structure of 4535-87-9 (2-chloro-N-ethylethanaminium chloride)
Formula: C4H10ClN•ClH
Molecular Weight: 144.044
Density: g/cm3
Boiling Point: 129.7°Cat760mmHg
Flash Point: 32.3°C
Safety: Poison by intravenous and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic fumes of Cl− and NOx.
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Chemistry

IUPAC Name: 2-Chloroethyl(ethyl)azanium chloride
Synonyms of N-(2-Chloroethyl)ethanamine hydrochloride (CAS NO.4535-87-9): Ethyl-beta-chloroethylamine hydrochloride ; Ethylamine, N-(2-chloroethyl)-, hydrochloride ; N-Ethyl-N-(2-chloroethyl)amine hydrochloride ; Diethylamine, 2-chloro-, hydrochloride ; Ethanamine, 2-chloro-N-ethyl-, hydrochloride
InChI: InChI=1/C4H10ClN.ClH/c1-2-6-4-3-5;/h6H,2-4H2,1H3;1H
InChIKey: ZNPQLXDWQPMSMR-UHFFFAOYAB
Std. InChI: InChI=1S/C4H10ClN.ClH/c1-2-6-4-3-5;/h6H,2-4H2,1H3;1H
Std. InChIKey: ZNPQLXDWQPMSMR-UHFFFAOYSA-N
CAS NO: 4535-87-9
Molecular Formula: C4H11Cl2N
Molecular Weight: 144.0428
Molecular Structure :
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 0 Å2
Flash Point: 32.3 °C
Enthalpy of Vaporization: 36.74 kJ/mol
Boiling Point: 129.7 °C at 760 mmHg
Vapour Pressure: 10 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1120mg/kg (1120mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES Cancer Vol. 2, Pg. 1055, 1949.
mouse LD50 intravenous 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 91, Pg. 224, 1947.
mouse LD50 subcutaneous 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. PB158-507,
rat LD50 intraperitoneal 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 143, 1961.

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by subcutaneous route. When N-(2-Chloroethyl)ethanamine hydrochloride (CAS NO.4535-87-9) is heated to decomposition, it emits toxic fumes of Cl− and NOx.