ChemicalBook--->CAS DataBase List--->5537-71-3

5537-71-3

5537-71-3 Structure

5537-71-3 Structure
IdentificationMore
[Name]

m-(1-Cyanoethyl)benzoic acid
[CAS]

5537-71-3
[Synonyms]

3-(1-CYANOETHYL)BENZOIC ACID
m-(1-Cyanoethyl)benzoic acid
3-(1-cyanoethyl)-benzoicaci
3-(1-Cyanoethyl)benzolcacid
3-(1-Cyanoethyl)benzoophenone
Cyano Ethyl benzoic acid
3-(1-Cyanoethyl)benzoic
[EINECS(EC#)]

226-897-0
[Molecular Formula]

C10H9NO2
[MDL Number]

MFCD00002520
[Molecular Weight]

175.18
[MOL File]

5537-71-3.mol
Chemical PropertiesBack Directory
[Melting point ]

145-148 °C (lit.)
[Boiling point ]

355.8±25.0 °C(Predicted)
[density ]

1.204±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

3.96±0.10(Predicted)
[CAS DataBase Reference]

5537-71-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
[Safety Statements ]

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 .
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

3-(1-Cyanoethyl)benzoic acid was used in screening of cobalt containing nitrile hydratases for their enantioselectivity towards wide range of chiral nitriles.
[Uses]

3-(1-Cyanoethyl)benzoic Acid is a intermediate for the synthetic preparation of various pharmaceutical compounds. 3-(1-Cyanoethyl)benzoic Acid was used in studies examining the enantioselectivity of n itrile hydratases.
[Definition]

ChEBI: Benzoic acid meta-substituted with a 1-cyanoethyl group.
Spectrum DetailBack Directory
[Spectrum Detail]

m-(1-Cyanoethyl)benzoic acid(5537-71-3)MS
m-(1-Cyanoethyl)benzoic acid(5537-71-3)1HNMR
m-(1-Cyanoethyl)benzoic acid(5537-71-3)IR1
m-(1-Cyanoethyl)benzoic acid(5537-71-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5537-71-3(sigmaaldrich)
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