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Home > Encyclopedia > 3-HYDROXY-3-METHYLBUTYRONITRILE

3-HYDROXY-3-METHYLBUTYRONITRILE

3-HYDROXY-3-METHYLBUTYRONITRILE structure

3-HYDROXY-3-METHYLBUTYRONITRILE 

structure
  • CAS No:

    13635-04-6

  • Formula:

    C5H9NO

  • Chemical Name:

    3-HYDROXY-3-METHYLBUTYRONITRILE

  • Synonyms:

    3-hydroxy-3-Methylbutanenitrile;3-Hydroxy-3-Methylbutyronitrile >=97.0% (GC);1-Cyano-2-methyl-2-propyl alcohol;β-hydroxyisovaleronitrile;3-HYDROXY-3-METHYLBUTYRONITRILE 97+%;Butanenitrile, 3-hydroxy-3-methyl-;3-HYDROXY-3-METHYLBUTYRONITRILE;BETA-HYDROXYISOVALERONITRILE

  • Categories:

    Chemical Reagents  >  Organic Reagents

3-HYDROXY-3-METHYLBUTYRONITRILE Basic Attributes

99.13

99.068413911

2926909090

Characteristics

44.02000

0.67098

0.959 g/mL at 20 °C (lit.)

114-116 °C/30 mmHg (lit.)

97ºC

n20/D 1.430

2-8ºC

0.0288mmHg at 25°C

Safety Information

UN 3276 6.1/PG 3

3

20/22

Xn

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:99.13
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:99.068413911
Monoisotopic Mass:99.068413911
Topological Polar Surface Area:44
Heavy Atom Count:7
Complexity:97.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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