3-Cyanobenzoic acid
Names
[ CAS No. ]:
1877-72-1
[ Name ]:
3-Cyanobenzoic acid
[Synonym ]:
3-Cyanobenzoic acid
Benzoic acid, 3-cyano-
m-Cyanobenzoic acid
Benzoic acid,3-cyano
Benzoic acid,m-cyano
3-cyanobenzaldehyde
3-Carboxybenzonitrile
Isophthalic acid mononitrile
3-Cyanobenzoicacid
EINECS 217-511-1
3-formyl-benzonitrile
MFCD00002486
Chemical & Physical Properties
[ Density]:
1.3±0.1 g/cm3
[ Boiling Point ]:
324.7±25.0 °C at 760 mmHg
[ Melting Point ]:
220-224 °C(lit.)
[ Molecular Formula ]:
C8H5NO2
[ Molecular Weight ]:
147.131
[ Flash Point ]:
150.1±23.2 °C
[ Exact Mass ]:
147.032028
[ PSA ]:
61.09000
[ LogP ]:
1.48
[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C
[ Index of Refraction ]:
1.592
[ Storage condition ]:
Store at RT.
MSDS
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H315-H319-H335
[ Precautionary Statements ]:
P261-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
Xn:Harmful;
[ Risk Phrases ]:
R20/21/22
[ Safety Phrases ]:
S26-S36-S22
[ RIDADR ]:
3439
[ WGK Germany ]:
3
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ HS Code ]:
2926909090
Synthetic Route
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
Sci. Rep. 5 , 10144, (2015)
Recently, preparation and screening of compound libraries remain one of the most challenging tasks in drug discovery, biomarker detection, and biomolecular profiling processes. So far, several distinc...
Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies.Inorg. Chem. 48(8) , 3792-9, (2009)
In our continuing efforts to explore the effects of ligand modifications on the structures and properties of their metal complexes, we studied the in situ [2 + 3] cycloaddition reactions of benzonitri...
A three-dimensional coordination polymer featuring effective ferrimagnetic hydroxide-bridged manganese(II) chains.Inorg. Chem. 44(13) , 4448-50, (2005)
A three-dimensional coordination polymer, [Mn3(OH)2Na2(3-cnba)6]n (1) (3-Hcnba = 3-cyanobenzoic acid), has been synthesized by the reaction of MnCl2, NaN3, and 3-Hcnba in water. Its crystal structure ...