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
1. | orl-rat LD50:28 mg/kg | IJMRAQ Indian Journal of Medical Research. 66 (1977),987. |
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−.
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