Benzenamine,2,6-dichloro-4-nitro-

The Benzenamine,2,6-dichloro-4-nitro-, with the CAS registry number 99-30-9, is also known as 2,6-Dichloro-4-nitrobenzenamine. It belongs to the product categories of Intermediates of Dyes and Pigments; Pharmaceutical intermediate. Its EINECS number is 202-746-4. This chemical's molecular formula is C₆H₄Cl₂N₂O₂ and molecular weight is 207.01. What's more, its systematic name is 2,6-dichloro-4-nitroaniline. Its classification codes are: (1)Agricultural Chemical; (2)Fungicide, bactericide, wood preservative; (3)Mutation data; (4)Tumor data. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, strong acids, heat and fire. It should also be prevented from direct sunlight. It is used as dye intermediates.

Physical properties of Benzenamine,2,6-dichloro-4-nitro- are: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 287.48; (6)ACD/BCF (pH 7.4): 287.48; (7)ACD/KOC (pH 5.5): 2002.05; (8)ACD/KOC (pH 7.4): 2002.05; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 46.82 cm³; (15)Molar Volume: 127.4 cm³; (16)Polarizability: 18.56×10^-24cm³; (17)Surface Tension: 63.8 dyne/cm; (18)Density: 1.624 g/cm³; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 56.49 kJ/mol; (21)Boiling Point: 323 °C at 760 mmHg; (22)Vapour Pressure: 0.000269 mmHg at 25°C.

Preparation: this chemical can be prepared by paranitroaniline chloridizing in the mixture of hydrochloric acid and glacial acetic acid.

Uses of Benzenamine,2,6-dichloro-4-nitro-: it can be used to produce 1,2,3-trichloro-5-nitro-benzene. It will need reagents conc. aq. HCl, conc. aq. H₂SO₄, Cu₂Cl₂ and solvent acetic acid with the reaction time of 1 hour. The yield is about 47%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. It has a danger of cumulative effects. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
(3)Std. InChIKey: BIXZHMJUSMUDOQ-UHFFFAOYSA-N

The toxicity data is as follows: