3-Cyanobenzoic acid

Modify Date: 2025-08-20 17:37:12

3-Cyanobenzoic acid Structure
3-Cyanobenzoic acid structure
Common Name 3-Cyanobenzoic acid
CAS Number 1877-72-1 Molecular Weight 147.131
Density 1.3±0.1 g/cm3 Boiling Point 324.7±25.0 °C at 760 mmHg
Molecular Formula C8H5NO2 Melting Point 220-224 °C(lit.)
MSDS Chinese USA Flash Point 150.1±23.2 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-Cyanobenzoic acid
Synonym More Synonyms

 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
InChIKey GYLKKXHEIIFTJH-UHFFFAOYSA-N
SMILES N#Cc1cccc(C(=O)O)c1
Storage condition Store at RT.

 Safety Information

Symbol GHS07
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

 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%

 Articles3

More Articles
Direct identification of on-bead peptides using surface-enhanced Raman spectroscopic barcoding system for high-throughput bioanalysis.

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 ...

 3-Cyanobenzoic acidBioassay

View more

Name: Concentration of the drug in the kidney of rat
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL643456
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Concentration of the drug in the liver of rat
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL643457
Name: In vitro inhibitory activity against H1N9 strain of Influenza neuraminidase (membrane...
Source: ChEMBL
Target: Sialidase-3
External Id: CHEMBL751097
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Partition coefficient (logD2.0)
Source: ChEMBL
Target: N/A
External Id: CHEMBL644346
Name: Hammett constant was evaluated
Source: ChEMBL
Target: N/A
External Id: CHEMBL841444
Name: Hammett constant was determined
Source: ChEMBL
Target: N/A
External Id: CHEMBL841443
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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 Synonyms

3-Cyanobenzoic acid
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
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