ChemicalBook Product Catalog Chemical Reagents Organic reagents Aromatic acids 3-Cyanobenzoic acid

3-Cyanobenzoic acid

3-Cyanobenzoic acid Basic information
Product Name:3-Cyanobenzoic acid
Synonyms:RARECHEM AL BE 0051;3-CARBOXYBENZONITRILE;3-CYANOBENZOIC ACID;ISOPHTHALIC ACID MONONITRILE;M-CYANOBENZOIC ACID;Benzoic acid, m-cyano-;m-Carboxybenzonitrile;3-Cyano Benzoic Acid m-Cyano Benzoic Acid
CAS:1877-72-1
MF:C8H5NO2
MW:147.13
EINECS:217-511-1
Product Categories:Pyridines;intermediate;Organic acids;CARBOXYLICACID;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
Mol File:1877-72-1.mol
3-Cyanobenzoic acid Structure
3-Cyanobenzoic acid Chemical Properties
Melting point 220-224 °C (lit.)
Boiling point 267.22°C (rough estimate)
density 1.3067 (rough estimate)
refractive index 1.4700 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility DMSO (Slightly), Methanol (Slightly)
form Powder
pka3.60(at 25℃)
color White to almost white
BRN 1862566
InChIKeyGYLKKXHEIIFTJH-UHFFFAOYSA-N
CAS DataBase Reference1877-72-1(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, 3-cyano-(1877-72-1)
Safety Information
Hazard Codes Xi,Xn
Risk Statements 36/37/38-20/21/22
Safety Statements 26-36-22
RIDADR 3439
WGK Germany 3
HazardClass 6.1
PackingGroup III
HS Code 29269090
MSDS Information
ProviderLanguage
m-Cyanobenzoic acid English
SigmaAldrich English
ACROS English
ALFA English
3-Cyanobenzoic acid Usage And Synthesis
Chemical PropertiesWhite Powder
Uses3-Cyanobenzoic acid was used in the preparation of new Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers via in situ [2+3] cycloaddition reactions with NaN3 in the presence of Zn(II) and/or Co(II) salts under hydrothermal conditions. It was also used in the synthesis of three-dimensional coordination polymer, [Mn3(OH)2Na2(3-cnba)6]n (3-Hcnba = 3-cyanobenzoic acid).
Synthesis Reference(s)Tetrahedron Letters, 29, p. 2589, 1988 DOI: 10.1016/S0040-4039(00)86119-5
RARECHEM AL BI 0051 5-CYANO-2-HYDROXY-BENZOIC ACID METHYL ESTER AURORA KA-6179 3,5-ditert-butyl-4-cyanobenzoic acid ETHYL 4-AMINO-5-CYANO-2-HYDROXY-3-METHYLBENZOATE AURORA KA-6183 3-CYANO-5-NITRO-BENZOIC ACID METHYL ESTER 3-Cyano-4-fluorobenzoic acid Ethyl 2-(Chlorosulfonyl)acetate Ascoric Acid BUTTPARK 107\40-80 AURORA KA-6176 BUTTPARK 143\40-09 ETHYL 4-AMINO-3-BROMO-5-CYANO-2-HYDROXYBENZOATE BUTTPARK 107\40-79 BUTTPARK 143\40-03 BUTTPARK 143\40-08 Ethyl N-cyanoethanimideate
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