4-NITRO-1,2-PHENYLENEDIAMINE MONOHYDROCHLORIDE

The 1,2-Benzenediamine,4-nitro-, hydrochloride (1:1), with the CAS registry number 53209-19-1, is also known as 4-Nitrobenzene-1,2-diamine monohydrochloride. Its EINECS registry number is 258-429-6. This chemical's molecular formula is C₆H₈ClN₃O₂ and molecular weight is 189.5996. What's more, both its IUPAC name and systematic name are the same which is called 4-Nitrobenzene-1,2-diamine hydrochloride.

Physical properties about 1,2-Benzenediamine,4-nitro-, hydrochloride (1:1) are: (1)ACD/LogP: 1.21; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.89; (6)ACD/BCF (pH 7.4): 4.89; (7)ACD/KOC (pH 5.5): 108.41; (8)ACD/KOC (pH 7.4): 108.45; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.3Ų; (13)Flash Point: 208.5 °C; (14)Enthalpy of Vaporization: 67.51 kJ/mol; (15)Boiling Point: 421.1 °C at 760 mmHg; (16)Vapour Pressure: 2.68E-07 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. And it is harmful if you swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.[O-][N+](=O)c1cc(N)c(N)cc1
(2) InChI: InChI=1/C6H7N3O2.ClH/c7-5-2-1-4(9(10)11)3-6(5)8;/h1-3H,7-8H2;1H
(3) InChIKey: IFTLGFVLGVXRBT-UHFFFAOYAW