3-(1-Cyanoethyl)benzoic acid

Modify Date: 2025-08-24 01:21:40

3-(1-Cyanoethyl)benzoic acid structure	Common Name	3-(1-Cyanoethyl)benzoic acid
	CAS Number	5537-71-3	Molecular Weight	175.184
	Density	1.2±0.1 g/cm3	Boiling Point	355.8±25.0 °C at 760 mmHg
	Molecular Formula	C₁₀H₉NO₂	Melting Point	143-145 °C(lit.)
	MSDS	Chinese USA	Flash Point	169.0±23.2 °C
	Symbol	GHS05, GHS07	Signal Word	Danger

Use of 3-(1-Cyanoethyl)benzoic acid

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

Name	3-(1-cyanoethyl)benzoic acid
Synonym	More Synonyms

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.

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

3-(1-Cyanoethyl)benzoic acid MSDS(Chinese)

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 0
DownStream 3
CAS#:68432-95-1 2-(3-CARBOXYPHE... CAS#:97844-30-9 2-(3-aminopheny... CAS#:42872-29-7 3-(1-cyanoethyl...

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%

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...

3-(1-Cyanoethyl)benzoic acid

UNII:3PN2M0G40N

m-(1-Cyanoethyl)benzoic acid

EINECS 226-897-0

Benzoic acid, 3-(1-cyanoethyl)-

MFCD00002520