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164149-28-4

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Basic Information
CAS No.: 164149-28-4
Name: 4-CYANO-2-FLUOROBENZOIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 164149-28-4 (4-CYANO-2-FLUOROBENZOIC ACID)
Formula: C8H4FNO2
Molecular Weight: 165.124
Synonyms: 2-Fluoro-4-cyanobenzoicacid;
EINECS: -0
Density: 1.42 g/cm3
Melting Point: 214-216 °C
Boiling Point: 326.3 °C at 760 mmHg
Flash Point: 151.1 °C
Solubility: Insoluble in water.
Hazard Symbols: HarmfulXn, ToxicT, IrritantXi
Risk Codes: 22-36/37/38-41
Safety: 26-36/37/39-39
Transport Information: UN 3439
PSA: 61.09000
LogP: 1.39558
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Chemistry


Systematic Name: 4-Cyano-2-fluorobenzoic acid 
Empirical Formula: C8H4FNO2
Molecular Weight: 165.1213
Nominal Mass: 165 
Average Mass: 165.1213 
Monoisotopic Mass: 165.022607
SMILES: O=C(O)c1ccc(C#N)cc1F 
InChI: InChI=1/C8H4FNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3H,(H,11,12) 
InChIKey: KEJMSTJTAWACNI-UHFFFAOYAK 
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: 151.1 °C
Enthalpy of Vaporization: 60.01 kJ/mol
Boiling Point: 326.3 °C at 760 mmHg
Vapour Pressure: 8.87E-05 mmHg at 25 °C
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C8Nitrogen Compounds; C8 to C9Chemical Synthesis; Carbonyl Compounds; Carboxylic Acids; Cyanides/Nitriles; New Products for Chemical Synthesis; Organic Building Blocks 
Melting Point of 4-Cyano-2-fluorobenzoic acid (CAS NO.164149-28-4): 214-216 °C

Safety Profile

Hazard Codes: IrritantXi,ToxicT,HarmfulXn
Risk Statements: 22-36/37/38-41 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R41:Risk of serious damage to the eyes.
Safety Statements: 26-36/37/39-39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S39:Wear eye / face protection.
RIDADR: 3439
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup of 4-Cyano-2-fluorobenzoic acid (CAS NO.164149-28-4): III

Specification

  4-Cyano-2-fluorobenzoic acid (CAS NO.164149-28-4), its Synonyms are 2-Fluoro-4-cyanobenzoic acid ; 4-Amino-2,3-difluorophenol ; Benzoic acid, 4-cyano-2-fluoro- .