1,2-Benzenediamine,3-fluoro- supplier

Name
2,3-DIAMINOFLUOROBENZENE
EINECS
CAS No. 18645-88-0
Article Data14
CAS DataBase
Density 1.284 g/cm³
Solubility
Melting Point 40.9°C-42.2°C
Formula C₆H₇FN₂
Boiling Point 242 °C at 760mmHg
Molecular Weight 126.133
Flash Point 105.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms o-Phenylenediamine,3-fluoro- (8CI);1,2-Diamino-3-fluorobenzene;2,3-Diaminofluorobenzene;2-Amino-3-fluoroaniline;3-Fluoro-1,2-benzenediamine;3-Fluoro-1,2-diaminobenzene;3-Fluoro-1,2-phenylenediamine;
PSA 52.04000
LogP 2.15250

1,2-Benzenediamine,3-fluoro- Specification

This chemical is called 1,2-Benzenediamine,3-fluoro-, and its systematic name is 3-fluorobenzene-1,2-diamine. With the molecular formula of C₆H₇FN₂, its molecular weight is 126.131. The CAS registry number of this chemical is 18645-88-0. Additionally, its product categories are Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het.

Other characteristics of the 1,2-Benzenediamine,3-fluoro- can be summarised as followings: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.32; (6)ACD/BCF (pH 7.4): 2.34; (7)ACD/KOC (pH 5.5): 63.48; (8)ACD/KOC (pH 7.4): 63.87; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 34.71 cm³; (15)Molar Volume: 98.2 cm³; (16)Polarizability: 13.76×10^-24cm³; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.284 g/cm³; (19)Flash Point: 105.6 °C; (20)Enthalpy of Vaporization: 47.9 kJ/mol; (21)Boiling Point: 242 °C at 760 mmHg; (22)Vapour Pressure: 0.0348 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1cccc(N)c1N
2.InChI: InChI=1/C6H7FN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2
3.InChIKey: OJSCBKGRGMBEEW-UHFFFAOYAV

Product Name

2,3-DIAMINOFLUOROBENZENE

1,2-Benzenediamine,3-fluoro- Specification

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