ChemicalBook--->CAS DataBase List--->176508-81-9

176508-81-9

176508-81-9 Structure

176508-81-9 Structure
IdentificationMore
[Name]

4-Cyano-3-fluorobenzoic acid
[CAS]

176508-81-9
[Synonyms]

3-FLUORO-4-CYANOBENZOIC ACID
4-CYANO-3-FLUOROBENZOIC ACID
3-FLUORO-4-CYANOBENZOIC ACID,98+%
[Molecular Formula]

C8H4FNO2
[MDL Number]

MFCD03094324
[Molecular Weight]

165.12
[MOL File]

176508-81-9.mol
Chemical PropertiesBack Directory
[Melting point ]

162.0 to 166.0 °C
[Boiling point ]

335.7±27.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

3.20±0.10(Predicted)
[color ]

White to Almost white
[InChI]

1S/C8H4FNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)
[InChIKey]

ZWKNDLMYSLLMRF-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccc(C#N)c(F)c1
[CAS DataBase Reference]

176508-81-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S39:Wear eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3439
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Light yellow powder
Spectrum DetailBack Directory
[Spectrum Detail]

4-Cyano-3-fluorobenzoic acid(176508-81-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

176508-81-9(sigmaaldrich)
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