2-(3-Benzoylphenyl)propanenitrile | CAS No. 42872-30-0

2-(3-Benzoylphenyl)propanenitrile

Basic Information

CAS Number

42872-30-0

Molecular Formula

C16H13NO

Molecular Weight

17.03 g/mol

EINECS

255-982-5

AD

Basic Physical Properties

Physical State

Powder

Melting Point

55.0 to 59.0 deg-C

Boiling Point

400.8°C at 760 mmHg

Density

1.115

Flash Point

>110 ºC

Refractive Index

1.579

Vapor Pressure

10Pa at 20-50℃

CC(C#N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3

InChIKey

RGYOCHMZSLUCNP-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

334

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

Sealed in dry,Room Temperature

RTECS

CY1693000

Synonyms & References

English

  • FT-0639810
  • (2RS)-2-(3-Benzoylphenyl)propanenitrile
  • 2-(3-BENZOYLPHENYL)PROPIONITRILE, (+/-)-
  • BRN 2844731
  • A826041
  • RGYOCHMZSLUCNP-UHFFFAOYSA-
  • AS-15423
  • B2939
  • EINECS 255-982-5
  • SCHEMBL687542
  • Benzeneacetonitrile, 3-benzoyl-.alpha.-methyl-
  • UNII-T1XT2245YV
  • NS00002833
  • InChI=1/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3
  • 2-(3-Benzoylphenyl)propionitrile
  • 3-Benzoyl-alpha-methylbenzeneacetonitrile
  • FT-0654153
  • KETOPROFEN IMPURITY F [EP IMPURITY]
  • 2-(3-benzoylphenyl)propanenitrile;2-(3-Benzoylphenyl)propionitrile
  • 2-[3-(benzoyl)phenyl]propanenitrile
  • AMY11415
  • 3-Benzoyl-a-methylbenzeneacetonitrile
  • 2-(3-Benzoylphenyl)propionitrile, 95%
  • 2-(3-Benzoylphenyl)propanenitrile #
  • DTXSID20962752
  • 2-(3-Benzoylphenyl)propanenitrile
  • BENZENEACETONITRILE, 3-BENZOYL-alpha-METHYL-
  • MFCD00044435
  • 3-(1-Cyanoethyl)benzophenone
  • D84188
  • AC-16248

MDL Number

MFCD00044435

EC Number

255-982-5

Customs Code

2926909090

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