3-Cyanobenzoic acid
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Product Description
Product
3-Cyanobenzoic acid
CAS
1877-72-1
Formula
C8H5NO2
Synonym
3-CYANOBENZOIC ACID; EINECS 217-511-1; Benzoic acid, m-cyano-; Benzoic acid, 3-cyano-; UNII-D2GC692D78; 3-CARBOXYBENZONITRILE; m-Carboxybenzonitrile; M-CYANOBENZOIC ACID; 3-Cyano Benzoic Acid m-Cyano Benzoic Acid; ISOPHTHALIC ACID MONONITRILE
Typical Product Specifications
Molecular weight
147.13
EINECS
217-511-1
SMILES
c1(cc(ccc1)C#N)C(O)=O
InChI
1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
InChIKey
GYLKKXHEIIFTJH-UHFFFAOYSA-N
Water solubility
2310 mg/L
log P (octanol-water)
1.48
Melting Point
219 ° C
Atmospheric OH Rate Constant
6.47E-13 cm3/molecule-sec
pKa Dissociation Constant
3.6
Vapor Pressure
2.09E-04 mm Hg
Henry's Law Constant
1.05E-09 atm-m3/mole
Storage Temperature
Store at room temperature.
Melting Point
220-224 °C
BRN Number
1862566
Class
3-Cyanobenzoic acid
For more information call (914) 654-6800or email INFO@PARCHEM.COM
(914) 654-6800
INFO@PARCHEM.COM
For more informationemailINFO@PARCHEM.COM
email
INFO@PARCHEM.COM
Product Description
Product
3-Cyanobenzoic acid
CAS
1877-72-1
Formula
C8H5NO2
Synonym
3-CYANOBENZOIC ACID; EINECS 217-511-1; Benzoic acid, m-cyano-; Benzoic acid, 3-cyano-; UNII-D2GC692D78; 3-CARBOXYBENZONITRILE; m-Carboxybenzonitrile; M-CYANOBENZOIC ACID; 3-Cyano Benzoic Acid m-Cyano Benzoic Acid; ISOPHTHALIC ACID MONONITRILE
Typical Product Specifications
Molecular weight
147.13
EINECS
217-511-1
SMILES
c1(cc(ccc1)C#N)C(O)=O
InChI
1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
InChIKey
GYLKKXHEIIFTJH-UHFFFAOYSA-N
Water solubility
2310 mg/L
log P (octanol-water)
1.48
Melting Point
219 ° C
Atmospheric OH Rate Constant
6.47E-13 cm3/molecule-sec
pKa Dissociation Constant
3.6
Vapor Pressure
2.09E-04 mm Hg
Henry's Law Constant
1.05E-09 atm-m3/mole
Storage Temperature
Store at room temperature.
Melting Point
220-224 °C
BRN Number
1862566
Class
