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4-Methylpentanenitrile

4-Methylpentanenitrile structure

4-Methylpentanenitrile 

structure
  • CAS No:

    542-54-1

  • Formula:

    C6H11N

  • Chemical Name:

    4-Methylpentanenitrile

  • Synonyms:

    Pentanenitrile,4-methyl-;Valeronitrile,4-methyl-;4-Methylpentanenitrile;Isoamyl cyanide;Isocapronitrile;4-Methylvaleronitrile;4-Methylpentanonitrile;Isohexanonitrile;Isopentyl cyanide;NSC 6109;Isopentylnitrile;4-Methylpentenenitrile

4-Methylpentanenitrile Basic Attributes

97.15820

97.16

208-817-6

J6BD44GTPJ

6109

DTXSID2060256

2926909090

Characteristics

23.79000

1.94618

0.8009 g/cm3 @ Temp: 20 °C

-51 °C

156.5 °C

45.6±0.0 ºC

1.4048 (589.3 nm 22 ºC)

Safety Information

III

3.2

1992

10-23/24/25

16-26-36/37/39

YV8588000

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P235, P501

H226

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Methylpentanenitrile Use and Manufacturing

Pentanenitrile, 4-methyl-: ACTIVE

Computed Properties

Molecular Weight:97.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:97.089149355
Monoisotopic Mass:97.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:7
Complexity:75.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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