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69411-06-9

Basic Information
CAS No.: 69411-06-9
Name: 4-CHLORO-2,6-DIFLUOROANILINE
Article Data: 5
Molecular Structure:
Molecular Structure of 69411-06-9 (4-CHLORO-2,6-DIFLUOROANILINE)
Formula: C6H4ClF2N
Molecular Weight: 163.554
Synonyms: 4-Chloro-2,6-difluoroaniline;
Density: C6H4ClF2N
Melting Point: 47-50℃
Boiling Point: 180.9 °C at 760 mmHg
Flash Point: 63.2 °C
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
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  • 4-CHLORO-2,6-DIFLUOROANILINE

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    69411-06-9

    4-CHLORO-2,6-DIFLUOROANILINE

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Specification

The Benzenamine, 4-chloro-2,6-difluoro-, its CAS registry number is 69411-06-9. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C6H4ClF2N and molecular weight is 163.55. What's more, its IUPAC name is called 4-Chloro-2,6-difluoroaniline. 

Physical properties about Benzenamine, 4-chloro-2,6-difluoro are: (1)ACD/LogP: 1.58; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.41; (6)ACD/BCF (pH 7.4): 9.42; (7)ACD/KOC (pH 5.5): 173.25; (8)ACD/KOC (pH 7.4): 173.26; (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: 1.543; (14)Molar Refractivity: 35.37 cm3; (15)Molar Volume: 112 cm3; (16)Polarizability: 14.02×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.459 g/cm3; (19)Flash Point: 63.2 °C; (20)Enthalpy of Vaporization: 41.72 kJ/mol; (21)Boiling Point: 180.9 °C at 760 mmHg; (22)Vapour Pressure: 0.874 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. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting 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: Fc1c(N)c(F)cc(Cl)c1
(2) InChI: InChI=1/C6H4ClF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
(3) InChIKey: AKDPHEYBBWDWCM-UHFFFAOYAT