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| CAS No.: | 72235-57-5 |
|---|---|
| Name: | 4-CHLORO-2-FLUOROBENZYL AMINE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H7ClFN |
| Molecular Weight: | 159.591 |
| Synonyms: | 4-Chloro-2-fluorobenzylamine;TIMTEC-BB SBB003972; |
| Density: | 1.27 g/cm3 |
| Boiling Point: | 211.1 °C at 760 mmHg |
| Flash Point: | 81.5 °C |
| Transport Information: | UN2735 |
| PSA: | 26.02000 |
| LogP: | 2.63810 |
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Specification
The CAS register number of 4-Chloro-2-fluorobenzylamine is 72235-57-5. The IUPAC name about this chemical is (4-chloro-2-fluorophenyl)methanamine. The molecular formula about this chemical is C7H7ClFN and the molecular weight is 159.59.
Physical properties about 4-Chloro-2-fluorobenzylamine are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): -1.56; (3)ACD/LogD (pH 7.4): -0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.74; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 39.59 cm3; (14)Molar Volume: 125.5 cm3; (15)Polarizability: 15.69x10-24cm3; (16)Surface Tension: 40.1 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 81.5 °C; (19)Enthalpy of Vaporization: 44.74 kJ/mol; (20)Boiling Point: 211.1 °C at 760 mmHg; (21)Vapour Pressure: 0.186 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
Usually it is not harmful to water, and if no official permission, do not put materials into the permission surroundings. You should keep it in dry protection gas. The container should be tightly closed and avoid contact with oxide, water, air.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(F)c(cc1)CN
(2)InChI: InChI=1/C7H7ClFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
(3)InChIKey: ODMMHGMIZYLHNN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
(5)Std. InChIKey: ODMMHGMIZYLHNN-UHFFFAOYSA-N