2,5-Dichloroaniline

The 2,5-Dichloroaniline, with the CAS registry number 95-82-9, is also known as Benzenamine, 2,5-dichloro-. It belongs to the product categories of Intermediates of Dyes and Pigments; Dyes and Pigments; Amines; C2 to C6; Nitrogen Compounds; Alpha Sort; Aromatics Pesticides & Metabolites; Chemical Class; D; DAlphabetic; DIA - DIC. Its EINECS registry number is 202-455-2. This chemical's molecular formula is C₆H₅Cl₂N and molecular weight is 162.02. What's more, its IUPAC name is the same with its product name. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 2,5-Dichloroaniline are: (1)ACD/LogP: 2.715; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.10; (6)ACD/BCF (pH 7.4): 68.11; (7)ACD/KOC (pH 5.5): 714.10; (8)ACD/KOC (pH 7.4): 714.18; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 40.279 cm³; (15)Molar Volume: 115.615 cm³; (16)Polarizability: 15.968×10^-24 cm³; (17)Surface Tension: 48.33 dyne/cm; (18)Density: 1.401 g/cm³; (19)Flash Point: 100.361 °C; (20)Enthalpy of Vaporization: 48.829 kJ/mol; (21)Boiling Point: 250.999 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25 °C.

Preparation of 2,5-Dichloroaniline: this chemical can be prepared by pyridine with (2,5-dichloro-phenyl)-hydrazine. This reaction needs reagent KO₂ at ambient temperature. The reaction time is 10 hours. The yield is 59 %.

Uses of 2,5-Dichloroaniline: (1) it is used for synthetizing dye intermediates, it is also used in the manufacture of nitrogen fertilizer synergist. (2) it is used to produce other chemicals. For example, it can react with formic acid to get formic acid-(2,5-dichloro-anilide). This reaction temperature is 20 °C. The reaction time is 72 hours. The yield is 67 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels. It's very toxic by inhalation, in contact with skin and if swallowed. So you should keep it away from food, drink and animal feeding stuffs. After contacting with skin, you should wash immediately with plenty of abluent which is be specified by the manufacturer. In case of accident or if you feel unwell seek medical advice immediately. In addition, it may present an immediate or delayed danger to one or more components of the environment. This chemical very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. What's more, it may cause danger of cumulative effects. Therefore, this material and its container must be disposed of as hazardous waste. And you should refer to special instructions/safety data sheet before releasing it to the environment.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(Cl)c(N)c1
(2) InChI: InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
(3) InChIKey: AVYGCQXNNJPXSS-UHFFFAOYSA-N

The toxicity data is as follows: