3-Cyanobenzoic acid

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Product Description

Product3-Cyanobenzoic acid
CAS1877-72-1
FormulaC8H5NO2
Synonym3-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 weight147.13
EINECS217-511-1
SMILESc1(cc(ccc1)C#N)C(O)=O
InChI1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
Water solubility2310 mg/L
log P (octanol-water)1.48
Melting Point219 ° C
Atmospheric OH Rate Constant6.47E-13 cm3/molecule-sec
pKa Dissociation Constant3.6
Vapor Pressure2.09E-04 mm Hg
Henry's Law Constant1.05E-09 atm-m3/mole
Storage TemperatureStore at room temperature.
Melting Point220-224 °C
BRN Number1862566
ClassSpecialty Chemicals
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