Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Cyano-2,6-difluorobenzoic acid |
EINECS | N/A |
CAS No. | 181073-82-5 | Density | 1.518 g/cm3 |
PSA | 61.09000 | LogP | 1.53468 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H3F2NO2 | Boiling Point | 303.895 °C at 760 mmHg |
Molecular Weight | 183.114 | Flash Point | 137.591 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Cyano-2,6-difluorobenzoicacid; |
Article Data | 7 |
The CAS register number of Benzoic acid,4-cyano-2,6-difluoro- is 181073-82-5. The systematic name about this chemical is 4-cyano-2,6-difluoro-benzoic acid. The molecular formula about this chemical is C8H3F2NO2 and the molecular weight is 183.1117.
Physical properties about Benzoic acid,4-cyano-2,6-difluoro- are: (1)ACD/LogP: 1.39; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 61.09 Å2; (10)Index of Refraction: 1.54; (11)Molar Refractivity: 37.821 cm3; (12)Molar Volume: 120.602 cm3; (13)Polarizability: 14.994x10-24cm3; (14)Surface Tension: 54.833 dyne/cm; (15)Density: 1.518 g/cm3; (16)Flash Point: 137.591 °C; (17)Enthalpy of Vaporization: 57.466 kJ/mol; (18)Boiling Point: 303.895 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c(c1F)C(=O)O)F)C#N
(2)InChI: InChI=1/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
(3)InChIKey: QJDLXGDIYHMIDN-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H3F2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
(5)Std. InChIKey: QJDLXGDIYHMIDN-UHFFFAOYSA-N