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5537-71-3

5537-71-3 structure
5537-71-3 structure

Name 3-(1-cyanoethyl)benzoic acid
Synonyms 3-(1-Cyanoethyl)benzoic acid
UNII:3PN2M0G40N
m-(1-Cyanoethyl)benzoic acid
EINECS 226-897-0
Benzoic acid, 3-(1-cyanoethyl)-
MFCD00002520
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
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
Symbol GHS05 GHS07
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

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%