pentanenitrile | CAS No. 110-59-8

pentanenitrile

Basic Information

CAS Number

110-59-8

Molecular Formula

C5H9N

Molecular Weight

72.15 g/mol

EINECS

203-781-8

AD

Basic Physical Properties

Physical State

Clear colorless

Melting Point

−96°C

Boiling Point

139-141°C

Density

0.795g/mLat 25°C

Water Solubility

0.1-0.5 g/100 mL at 22.5 ºC

Flash Point

105°F

Solubility

10.0g/l

Refractive Index

n20/D 1.397(lit.)

Vapor Pressure

7.0 hPa (20 °C)

CCCCC#N

InChI

InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

InChIKey

OFBQJSOFQDEBGM-UHFFFAOYSA-N

LogP

2.1965000000000003

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

57.6

Safety Information

View Safety Information

GHS Hazard Pictograms

H226H226
H301H301

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids
H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 3 Class 3

Stability

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents. Flammable.

Auto-ignition Temperature

520 °C

Toxicity

LD50 orally in male mice: 2.297 mmol/kg (Tanii)

Synonyms & References

English

  • V0008
  • J-525153
  • Valeronitrile, 8CI
  • NCGC00257836-01
  • Pentanenitrile; Valproic Acid Imp. H (EP); Valeronitrile; Valproic Acid Impurity H
  • 1-cyano-butane
  • InChI=1/C5H9N/c1-2-3-4-5-6/h2-4H2,1H
  • NCGC00091673-01
  • MFCD00001974
  • A802223
  • n-Pentanenitrile
  • NS00006512
  • Pentanenitrile, 9CI
  • F0001-0220
  • CHEBI:192304
  • AKOS000200376
  • AI3-30052
  • Butyl cyanide
  • EINECS 203-781-8
  • FT-0631617
  • EC 203-781-8
  • 4-02-00-00875 (Beilstein Handbook Reference)
  • X44H3R47D4
  • J-002452
  • 1-Cyanobutane
  • Pentanenitrile (Valeronitrile)
  • CCRIS 6114
  • VALERONITRILE [MI]
  • CHEMBL1503158
  • UNII-X44H3R47D4
  • VALPROIC ACID IMPURITY H [EP IMPURITY]

MDL Number

MFCD00001974

EC Number

203-781-8

Customs Code

29269095

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