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18698-99-2

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18698-99-2 Structure

18698-99-2 Structure
IdentificationBack Directory
[Name]

(2-CYANOPHENYL)ACETIC ACID
[CAS]

18698-99-2
[Synonyms]

2-CYANOBENZENEACETIC ACID
(2-CYANOPHENYL)ACETIC ACID
(o-Cyanophenyl)acetic acid
2-(2-cyanophenyl)acetic acid
Benzeneacetic acid, 2-cyano-
[EINECS(EC#)]

242-510-8
[Molecular Formula]

C9H7NO2
[MDL Number]

MFCD01646238
[MOL File]

18698-99-2.mol
[Molecular Weight]

161.16
Chemical PropertiesBack Directory
[Melting point ]

122-123℃
[Boiling point ]

334℃
[density ]

1.26
[Fp ]

156℃
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

3.99±0.10(Predicted)
[InChI]

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

QLHZKPQKYARBGT-UHFFFAOYSA-N
[SMILES]

C1(CC(O)=O)=CC=CC=C1C#N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[HS Code ]

2926907090
Hazard InformationBack Directory
[Uses]

2-(2-Cyanophenyl)acetic Acid is used in preparation of tricyclic compounds as ERK inhibitors for treating cancers and autoimmune diseases.
Spectrum DetailBack Directory
[Spectrum Detail]

(2-CYANOPHENYL)ACETIC ACID(18698-99-2)1HNMR
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