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Cas Database |
| Name |
4-Cyano-2-fluorobenzoic acid |
EINECS | -0 |
| CAS No. | 164149-28-4 | Density | 1.42 g/cm3 |
| PSA | 61.09000 | LogP | 1.39558 |
| Solubility | Insoluble in water. | Melting Point |
214-216 °C |
| Formula | C8H4FNO2 | Boiling Point | 326.3 °C at 760 mmHg |
| Molecular Weight | 165.124 | Flash Point | 151.1 °C |
| Transport Information | UN 3439 | Appearance | N/A |
| Safety | 26-36/37/39-39 | Risk Codes | 22-36/37/38-41 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  T,  Xi
|
| Synonyms |
2-Fluoro-4-cyanobenzoicacid; |
Article Data | 2 |
4-Cyano-2-fluorobenzoic acid Chemical Properties
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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
4-Cyano-2-fluorobenzoic acid Safety Profile
Hazard Codes: 
Xi,
T,
Xn
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
4-Cyano-2-fluorobenzoic acid 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- .
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