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3,3-Dimethylbutanoyl chloride

3,3-Dimethylbutanoyl chloride structure

3,3-Dimethylbutanoyl chloride 

structure
  • CAS No:

    7065-46-5

  • Formula:

    C6H11ClO

  • Chemical Name:

    3,3-Dimethylbutanoyl chloride

  • Synonyms:

    Butanoyl chloride,3,3-dimethyl-;Butyryl chloride,3,3-dimethyl-;3,3-Dimethylbutanoyl chloride;tert-Butylacetyl chloride;3,3-Dimethylbutyryl chloride;3,3-Dimethylbutyric acid chloride;3,3-Dimethylbutanoic acid chloride;Tert-butylacetyl chloride;121525-22-2

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

Clear colorless to slightly yellow liquid

3,3-Dimethylbutanoyl chloride Basic Attributes

134.6

134.60

1740421

230-356-4

DTXSID4064557

29159000

Characteristics

17.1

2.22

Clear colorless to slightly yellow Liquid

0.964 g/cm3 @ Temp: 20 °C

130 °C

70 °F

1.423

Reacts with water.

0-6°C

Safety Information

II

3

UN 2924 3/PG 2

3

10-34

26-36/37/39-45

C

Stable under normal temperatures and pressures. May decompose on exposure to moist air or water.

P210-P280-P305 + P351 + P338

H225-H315-H318

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P362, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,3-Dimethylbutanoyl chloride Use and Manufacturing

Uses

Pivaloyl chloride is a very important acylation reagent, mainly used as a pharmaceutical intermediate, as the main raw material in the preparation of many amides and phenolic lipids; currently has been used for hydroxylamine benzylpenicillin and cefadroxil, cephalosporin Production of oxazoline, dipivaloyl adrenaline and other drugs. It is also widely used in the production of pesticide intermediates, such as chloropivaloyl chloride.

Butanoyl chloride, 3,3-dimethyl-: INACTIVE

Computed Properties

Molecular Weight:134.60
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:134.0498427
Monoisotopic Mass:134.0498427
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:91.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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