4-Cyano-2,6-difluorobenzoic acid supplier

Name
4-CYANO-2,6-DIFLUOROBENZOIC ACID
EINECS
CAS No. 181073-82-5
Article Data7
CAS DataBase
Density 1.518 g/cm³
Solubility
Melting Point
Formula C₈H₃F₂NO₂
Boiling Point 303.895 °C at 760 mmHg
Molecular Weight 183.114
Flash Point 137.591 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cyano-2,6-difluorobenzoicacid;
PSA 61.09000
LogP 1.53468

4-Cyano-2,6-difluorobenzoic acid Specification

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

Product Name

4-CYANO-2,6-DIFLUOROBENZOIC ACID

4-Cyano-2,6-difluorobenzoic acid Specification

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