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Benzenemethanamine,2-chloro-3,6-difluoro-

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Name

Benzenemethanamine,2-chloro-3,6-difluoro-

EINECS N/A
CAS No. 261762-45-2 Density 1.368 g/cm3
PSA 26.02000 LogP 2.77720
Solubility N/A Melting Point N/A
Formula C7H6ClF2N Boiling Point 210.3 °C at 760 mmHg
Molecular Weight 177.581 Flash Point 81 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 261762-45-2 (2-CHLORO-3,6-DIFLUOROBENZYLAMINE) Hazard Symbols CorrosiveC
Synonyms

2-Chloro-3,6-difluorobenzylamine;

 

Benzenemethanamine,2-chloro-3,6-difluoro- Specification

The Benzenemethanamine,2-chloro-3,6-difluoro-, with the CAS registry number 261762-45-2, is also known as 2-Chloro-3,6-difluorobenzylamine. This chemical's molecular formula is C7H6ClF2N and molecular weight is 177.58. What's more, its IUPAC name is (2-Chloro-3,6-difluorophenyl)methanamine.

Physical properties about Benzenemethanamine,2-chloro-3,6-difluoro are: (1)ACD/LogP: 1.52; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.09; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 18.94; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 39.58 cm3; (15)Molar Volume: 129.7 cm3; (16)Polarizability: 15.69×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.368 g/cm3; (19)Flash Point: 81 °C; (20)Enthalpy of Vaporization: 44.66 kJ/mol; (21)Boiling Point: 210.3 °C at 760 mmHg; (22)Vapour Pressure: 0.194 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause burns. 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. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(c(Cl)c(F)cc1)CN
(2) InChI: InChI=1/C7H6ClF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H,3,11H2
(3) InChIKey: KDAQEMQCJMFSEP-UHFFFAOYAN

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