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CAS No.: | 1993-09-5 |
---|---|
Name: | 3-FLUORO-PHENYLAMINE HCL |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H7ClFN |
Molecular Weight: | 147.58 |
Synonyms: | Aniline,m-fluoro-, hydrochloride (8CI);Benzenamine, 3-fluoro-, hydrochloride (9CI);3-Fluoroaniline hydrochloride;3-Fluoro-phenylamine hydrochloride; |
Boiling Point: | 186.3 °C at 760 mmHg |
Flash Point: | 77.2 °C |
PSA: | 26.02000 |
LogP: | 2.79110 |
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The Benzenamine, 3-fluoro-,hydrochloride (1:1), with the CAS registry number 1993-09-5, is also known as 3-Fluoro-phenylamine hydrochloride. This chemical's molecular formula is C6H7ClFN and molecular weight is 147.5779. What's more, its systematic name is 3-Fluoroaniline hydrochloride.
Physical properties about Benzenamine, 3-fluoro-,hydrochloride (1:1)are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.58; (6)ACD/BCF (pH 7.4): 6.66; (7)ACD/KOC (pH 5.5): 133.64; (8)ACD/KOC (pH 7.4): 135.22; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 77.2 °C; (14)Enthalpy of Vaporization: 42.25 kJ/mol; (15)Boiling Point: 186.3 °C at 760 mmHg; (16)Vapour Pressure: 0.667 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Fc1cccc(N)c1
(2)InChI: InChI=1/C6H6FN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H
(3)InChIKey: MNMXMPLRBXECRC-UHFFFAOYAR