Benzenamine, 3-fluoro-,hydrochloride (1:1) supplier

Name
3-FLUORO-PHENYLAMINE HCL
EINECS
CAS No. 1993-09-5
Article Data1
CAS DataBase
Density
Solubility
Melting Point
Formula C₆H₇ClFN
Boiling Point 186.3 °C at 760 mmHg
Molecular Weight 147.58
Flash Point 77.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aniline,m-fluoro-, hydrochloride (8CI);Benzenamine, 3-fluoro-, hydrochloride (9CI);3-Fluoroaniline hydrochloride;3-Fluoro-phenylamine hydrochloride;
PSA 26.02000
LogP 2.79110

Benzenamine, 3-fluoro-,hydrochloride (1:1) Specification

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

Product Name

3-FLUORO-PHENYLAMINE HCL

Benzenamine, 3-fluoro-,hydrochloride (1:1) Specification

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