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124185-35-9

Basic Information
CAS No.: 124185-35-9
Name: 2-CHLORO-4-FLUORO-5-METHYLANILINE
Molecular Structure:
Molecular Structure of 124185-35-9 (2-CHLORO-4-FLUORO-5-METHYLANILINE)
Formula: C7H7ClFN
Molecular Weight: 159.591
Synonyms: 2-Chloro-4-fluoro-5-methylbenzenamine;
Density: 1.285 g/cm3
Melting Point: 69-71 °C
Boiling Point: 224.183 °C at 760 mmHg
Flash Point: 89.383 °C
Appearance: brown crystalline powder
Hazard Symbols: HarmfulXn, IrritantXi, FlammableF
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 26.02000
LogP: 2.95090
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    2-CHLORO-4-FLUORO-5-METHYLANILINE

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    2-CHLORO-4-FLUORO-5-METHYLANILINE

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Specification

The Benzenamine, 2-chloro-4-fluoro-5-methyl-, with the CAS registry number of 124185-35-9, is also known as 2-Chloro-4-fluoro-5-methylphenylamine. It belongs to the product categories of Anilines, Amides & Amines; Chlorine Compounds; Fluorine Compounds. This chemical's molecular formula is C7H7ClFN and molecular weight is 159.59. What's more, its IUPAC name is 2-Chloro-4-fluoro-5-methylaniline. In addition, it must be stored in airtight containers and placed in a dry, cool place. And Benzenamine, 2-chloro-4-fluoro-5-methyl- can be used as intermediates of medicine, pesticide, liquid crystal materials.

Physical properties about Benzenamine, 2-chloro-4-fluoro-5-methyl- are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.95; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 347.84; (8)ACD/KOC (pH 7.4): 348.58; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 40.2 cm3; (15)Molar Volume: 124.1 cm3; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.285 g/cm3; (18)Flash Point: 89.4 °C; (19)Enthalpy of Vaporization: 46.07 kJ/mol; (20)Boiling Point: 224.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0925 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(F)c(cc1N)C
(2) InChI: InChI=1/C7H7ClFN/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,10H2,1H3
(3) InChIKey: OXINUINVVAJJSE-UHFFFAOYAM