3-(1-Cyanoethyl)benzoic acid

Names

[ Name ]:
3-(1-Cyanoethyl)benzoic acid

[Synonym ]:
3-(1-Cyanoethyl)benzoic acid
UNII:3PN2M0G40N
m-(1-Cyanoethyl)benzoic acid
EINECS 226-897-0
Benzoic acid, 3-(1-cyanoethyl)-
MFCD00002520

Biological Activity

[Description]:

3-(1-Cyanoethyl)benzoic acid (DF2107Y) is a benzoic acid that can be used to screen cobalt containing nitrile hydratases (NHases)[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. S van Pelt, et al. Probing the enantioselectivity of a diverse group of purified cobalt-centred nitrile hydratases. Org Biomol Chem. 2011 Apr 21;9(8):3011-9.

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
355.8±25.0 °C at 760 mmHg

[ Melting Point ]:
143-145 °C(lit.)

[ Molecular Formula ]:
C₁₀H₉NO₂

[ Molecular Weight ]:
175.184

[ Flash Point ]:
169.0±23.2 °C

[ Exact Mass ]:
175.063324

[ PSA ]:
61.09000

[ LogP ]:
1.47

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.564

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H317-H318

[ Precautionary Statements ]:
P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R41;R43

[ Safety Phrases ]:
S26-S36/37/39-S36/37/38

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ HS Code ]:
2926909090

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Probing the enantioselectivity of a diverse group of purified cobalt-centred nitrile hydratases.

Org. Biomol. Chem. 9(8) , 3011-9, (2011)

In this study a diverse range of purified cobalt containing nitrile hydratases (NHases, EC 4.2.1.84) from Rhodopseudomonas palustris HaA2 (HaA2), Rhodopseudomonas palustris CGA009 (009), Sinorhizobium...