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56538-01-3

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Basic Information
CAS No.: 56538-01-3
Name: N-(2-Chloroethyl)-2-methoxy-5-nitrobenzylamine
Molecular Structure:
Molecular Structure of 56538-01-3 (N-(2-Chloroethyl)-2-methoxy-5-nitrobenzylamine)
Formula: C10H13ClN2O3
Molecular Weight: 244.70
Synonyms: N-(2-Chloroethyl)aminomethyl-4-methoxynitrobenzene;N-(2-Chloroethyl)-2-methoxy-5-nitrobenzylamine;2-(2-Chlorethylaminomethyl)-4-nitroanisol;BENZYLAMINE,N-(2-CHLOROETHYL)-2-METHOXY-5-NITRO;
Density: 1.255g/cm3
Boiling Point: 385.4°Cat760mmHg
Flash Point: 186.9°C
Safety: Poison by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and Cl−.
PSA: 67.08000
LogP: 2.84590
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Chemistry

IUPAC Name: 2-Chloro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
Synonyms of N-(2-Chloroethyl)aminomethyl-4-methoxynitrobenzene (CAS NO.56538-01-3): N-(2-Chloroethyl)-2-methoxy-5-nitrobenzylamine ; Benzylamine, N-(2-chloroethyl)-2-methoxy-5-nitro-
InChI: InChI=1/C10H13ClN2O3/c1-16-10-3-2-9(13(14)15)6-8(10)7-12-5-4-11/h2-3,6,12H,4-5,7H2,1H3
InChIKey: APKWZCHXKUTRGW-UHFFFAOYAD
Std. InChI: InChI=1S/C10H13ClN2O3/c1-16-10-3-2-9(13(14)15)6-8(10)7-12-5-4-11/h2-3,6,12H,4-5,7H2,1H3
Std. InChIKey: APKWZCHXKUTRGW-UHFFFAOYSA-N
CAS NO: 56538-01-3
Molecular Formula: C10H13ClN2O3
Molecular Weight: 244.6748
Molecular Structure :
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 58.29 Å2
Index of Refraction: 1.55
Molar Refractivity: 62.1 cm3
Molar Volume: 194.8 cm3
Surface Tension: 44.1 dyne/cm
Density: 1.255 g/cm3
Flash Point: 186.9 °C
Enthalpy of Vaporization: 63.42 kJ/mol
Boiling Point: 385.4 °C at 760 mmHg
Vapour Pressure: 3.81E-06 mmHg at 25°C

Toxicity Data With Reference

1.    

orl-rat LD50:28 mg/kg

     IJMRAQ    Indian Journal of Medical Research. 66 (1977),987.

Safety Profile

Poison by ingestion. Experimental reproductive effects. When N-(2-Chloroethyl)aminomethyl-4-methoxynitrobenzene (CAS NO.56538-01-3) is heated to decomposition ,it emits toxic fumes of NOx and Cl−.