Name: 4-Chloro-3-fluorobenzylamine
SKU: 72235-58-6

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Basic Information

Molecular Structure:
CAS No.:	72235-58-6
Name:	4-Chloro-3-fluorobenzylamine

Formula:	C₇H₇ClFN
Molecular Weight:	159.591
Synonyms:	(4-Chloro-3-fluorobenzyl)amine;RARECHEM AL BW 1597;
Density:	1.27 g/cm³
Boiling Point:	216.5 °C at 760 mmHg
Flash Point:	84.7 °C
Hazard Symbols:	Xi
Risk Codes:	37/38-41
Safety:	26-39
PSA:	26.02000
LogP:	2.63810

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Specification

The CAS register number of 4-Chloro-3-fluorobenzylamine is 72235-58-6. It also can be called as (4-Chloro-3-fluorobenzyl)amine and the IUPAC name about this chemical is (4-chloro-3-fluorophenyl)methanamine. The molecular formula about this chemical is C₇H₇ClFN and the molecular weight is 159.59.

Physical properties about 4-Chloro-3-fluorobenzylamine are: (1)ACD/LogP: 1.85; (2)ACD/LogD (pH 5.5): -1.07; (3)ACD/LogD (pH 7.4): 0.37; (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): 8.08; (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: 84.7 °C; (19)Enthalpy of Vaporization: 45.28 kJ/mol; (20)Boiling Point: 216.5 °C at 760 mmHg; (21)Vapour Pressure: 0.14 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is slightly hazardous to water. It is not permitted undiluted product or large quantities to reach ground water, water course or sewage system. If no official permission, do not put materials into the permission surroundings. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide, acid, air. The storage place must be unlocked and the key should be kept by technical experts and their aides.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1Cl)CN
(2)InChI: InChI=1/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
(3)InChIKey: HSNPBYKCCNMQNA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
(5)Std. InChIKey: HSNPBYKCCNMQNA-UHFFFAOYSA-N