2-Chloro-5-methyl-1,4-phenylenediamine

The 1,4-Benzenediamine,2-chloro-5-methyl-, with the CAS registry number 5307-03-9, is also known as 2-Chloro-5-methyl-1,4-phenylenediamine. It belongs to the product categories of Intermediates of Dyes and Pigments; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research. Its EINECS registry number is 226-162-4. Its IUPAC name is called 2-chloro-5-methylbenzene-1,4-diamine. The product should be kept at the normal temperature avoids the light closeness and sealed in cool dry place. In addition, it is light brown powder.

Physical properties of 1,4-Benzenediamine,2-chloro-5-methyl-: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.05; (6)ACD/BCF (pH 7.4): 3.58; (7)ACD/KOC (pH 5.5): 73.78; (8)ACD/KOC (pH 7.4): 86.61; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 44.44 cm³; (14)Molar Volume: 122.2 cm³; (15)Surface Tension: 54.7 dyne/cm; (16)Density: 1.281 g/cm³; (17)Flash Point: 133.6 °C; (18)Enthalpy of Vaporization: 53.72 kJ/mol; (19)Boiling Point: 297.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00135 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1N)Cl)N
(2)InChI: InChI=1S/C7H9ClN2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,9-10H2,1H3
(3)InChIKey: CPCPKQUNFFHAIZ-UHFFFAOYSA-N