5-Cyano-2-fluorobenzoic acid supplier

Name
5-CYANO-2-FLUOROBENZOIC ACID
EINECS
CAS No. 146328-87-2
Article Data6
CAS DataBase
Density 1.425 g/cm³
Solubility
Melting Point
Formula C₈H₄FNO₂
Boiling Point 322.066 °C at 760 mmHg
Molecular Weight 165.124
Flash Point 148.58 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Cyano-2-fluorobenzoicacid;
PSA 61.09000
LogP 1.39558

5-Cyano-2-fluorobenzoic acid Specification

This chemical is called Benzoic acid, 5-cyano-2-fluoro-, and its CAS registry number is 146328-87-2. With the molecular formula of C₈H₄FNO₂, its molecular weight is 165.12.

Other characteristics of the Benzoic acid, 5-cyano-2-fluoro- can be summarised as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.2; (4)ACD/LogD (pH 7.4): -1.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 37.7 cm³; (15)Molar Volume: 115.8 cm³; (16)Polarizability: 14.94×10^-24cm³; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.42 g/cm³; (19)Flash Point: 148.6 °C; (20)Enthalpy of Vaporization: 59.53 kJ/mol; (21)Boiling Point: 322.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000118 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cc(C#N)ccc1F
2.InChI: InChI=1/C8H4FNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12)
3.InChIKey: UQXVUTYCTZULCD-UHFFFAOYAE

Product Name

5-CYANO-2-FLUOROBENZOIC ACID

5-Cyano-2-fluorobenzoic acid Specification

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