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Name |
1,2-Benzenediamine,3-fluoro- |
EINECS | N/A |
CAS No. | 18645-88-0 | Density | 1.284 g/cm3 |
PSA | 52.04000 | LogP | 2.15250 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
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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; |
Article Data | 14 |
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