ChemicalBook--->CAS DataBase List--->1878-71-3

1878-71-3

1878-71-3 Structure

1878-71-3 Structure
IdentificationBack Directory
[Name]

3-CYANOPHENYLACETIC ACID
[CAS]

1878-71-3
[Synonyms]

3-CYANOPHENYLACETIC ACID
3-Cyanobenzeneacetic acid
Benzeneaceticacid,3-cyano-
(m-Cyanophenyl)acetic acid
2-(3-cyanophenyl)aceticaci
3-Cyanophenylacetic acid 95%
2-(3-cyanophenyl)acetic acid
[Molecular Formula]

C9H7NO2
[MDL Number]

MFCD06411079
[MOL File]

1878-71-3.mol
[Molecular Weight]

161.16
Chemical PropertiesBack Directory
[Melting point ]

113-117 °C(lit.)
[Boiling point ]

342.1±17.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Powder or Crystalline Powder
[pka]

4.08±0.10(Predicted)
[color ]

White to brown
[InChI]

InChI=1S/C9H7NO2/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5H2,(H,11,12)
[InChIKey]

ZNXMNKGBHYVNNE-UHFFFAOYSA-N
[SMILES]

C1(CC(O)=O)=CC=CC(C#N)=C1
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-43
[Safety Statements ]

36/37
[WGK Germany ]

3
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

3-CYANOPHENYLACETIC ACID(1878-71-3)1HNMR
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