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3-Cyanobenzoic acid

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Product Description

PRODUCT

3-Cyanobenzoic acid

CAS #

1877-72-1

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

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FORMULA

C8H5NO2

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

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