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CAS No.: | 327056-74-6 |
---|---|
Name: | 3-Cyano-5-fluorobenzoic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H4FNO2 |
Molecular Weight: | 165.124 |
Synonyms: | 3-Carboxy-5-fluorobenzonitrile;3-fluoro-5-cyanobenzoic acid;3-cyano-5-fluoranyl-benzoic acid; |
Density: | 1.42g/cm3 |
Melting Point: | 172-173oC |
Boiling Point: | 317°C at 760 mmHg |
Flash Point: | 145.5°C |
Hazard Symbols: | T,Xi,Xn |
Risk Codes: | 22 |
PSA: | 61.09000 |
LogP: | 1.39558 |
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Molecular Structure of 3-Cyano-5-fluorobenzoic acid (CAS No. 327056-74-6):
Systematic Name: 3-Cyano-5-fluorobenzoic acid
Molecular Formula: C8H4FNO2
Molecular Weight: 165.12
CAS Registry Number: 327056-74-6
Melting Point: 172-173°C
Sensitive: Air Sensitive
Index of Refraction: 1.564
Molar Refractivity: 37.7 cm3
Molar Volume: 115.8 cm3
Surface Tension: 58.8 dyne/cm
Density: 1.42 g/cm3
Flash Point: 145.5 °C
Enthalpy of Vaporization: 58.95 kJ/mol
Boiling Point: 317 °C at 760 mmHg
Vapour Pressure: 0.000167 mmHg at 25°C
Product Categories: HALIDE;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
Structure Descriptors of 3-Cyano-5-fluorobenzoic acid (CAS No. 327056-74-6):
SMILES: N#Cc1cc(cc(F)c1)C(=O)O
InChI: InChI=1/C8H4FNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12)
InChIKey: HADZSOZVTCEMNP-UHFFFAOYAH
Std. InChI: InChI=1S/C8H4FNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12)
Std. InChIKey: HADZSOZVTCEMNP-UHFFFAOYSA-N
Hazard Codes: T ,Xi
HazardClass: IRRITANT, TOXIC