3-Acetylbenzonitrile
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Product Description
Product
3-Acetylbenzonitrile
CAS
6136-68-1
Formula
C9H7NO
Synonym
3-ACETYLBENZONITRILE; 3-acetylbenzonitrile,98%; 3-Acetylbenzonitrile97%; 3-CN-C6H4-COCH3; 3'-Cyanoacetophenone; 3-CYANOACETOPHENONE; Benzonitrile, 3-acetyl-; M-ACETYLBENZONITRILE; m-Cyanoacetophenone
Typical Product Specifications
Molecular weight
145.16
EINECS
228-110-6
SMILES
CC(=O)c1cc(C#N)ccc1
InChI
1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChIKey
SBCFGFDAZCTSRH-UHFFFAOYSA-N
log P (octanol-water)
1.16
Henry's Law Constant
9.48E-08 atm-m3/mole
Vapor Pressure
6.42E-03 mm Hg
Atmospheric OH Rate Constant
4.16E-13 cm3/molecule-sec
Melting Point
98-100 ° C
Water solubility
4420 mg/L
Boiling Point
120 °C (5 mmHg)
BRN Number
2079629
Flash Point
120°C/5mm
Melting Point
98-100 °C
Water solubility
Insoluble in water.
Class
3-Acetylbenzonitrile
Product Description
Product
3-Acetylbenzonitrile
CAS
6136-68-1
Formula
C9H7NO
Synonym
3-ACETYLBENZONITRILE; 3-acetylbenzonitrile,98%; 3-Acetylbenzonitrile97%; 3-CN-C6H4-COCH3; 3'-Cyanoacetophenone; 3-CYANOACETOPHENONE; Benzonitrile, 3-acetyl-; M-ACETYLBENZONITRILE; m-Cyanoacetophenone
Typical Product Specifications
Molecular weight
145.16
EINECS
228-110-6
SMILES
CC(=O)c1cc(C#N)ccc1
InChI
1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChIKey
SBCFGFDAZCTSRH-UHFFFAOYSA-N
log P (octanol-water)
1.16
Henry's Law Constant
9.48E-08 atm-m3/mole
Vapor Pressure
6.42E-03 mm Hg
Atmospheric OH Rate Constant
4.16E-13 cm3/molecule-sec
Melting Point
98-100 ° C
Water solubility
4420 mg/L
Boiling Point
120 °C (5 mmHg)
BRN Number
2079629
Flash Point
120°C/5mm
Melting Point
98-100 °C
Water solubility
Insoluble in water.
Class
