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3-Cyanobenzoic acid

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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
  • CARBOXYLICACID
  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
  • Organic acids
Mol File:
1877-72-1.mol
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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
pka
3.60(at 25℃)
color 
White to almost white
BRN 
1862566
InChIKey
GYLKKXHEIIFTJH-UHFFFAOYSA-N
CAS DataBase Reference
1877-72-1(CAS DataBase Reference)
NIST Chemistry Reference
Benzoic acid, 3-cyano-(1877-72-1)
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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

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3-Cyanobenzoic acid Usage And Synthesis

Chemical Properties

White Powder

Uses

3-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

3-Cyanobenzoic acid Preparation Products And Raw materials

Raw materials

Potassium permanganatem-Tolunitrile

Preparation Products

3-Cyanobenzoyl chloride3-Cyanophenyl isocyanate

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