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1,1-Dichloro-3,3-dimethyl-2-butanone

1,1-Dichloro-3,3-dimethyl-2-butanone structure

CAS No:
22591-21-5
Formula:
C6H10Cl2O
Chemical Name:
1,1-Dichloro-3,3-dimethyl-2-butanone
Synonyms:
2-Butanone,1,1-dichloro-3,3-dimethyl-;1,1-Dichloro-3,3-dimethyl-2-butanone;Dichloromethyl tert-butyl ketone;α,α-Dichloropinacolin;1,1-Dichloropinacolone
Categories:
Agrochemicals > Pesticide Intermediates

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Description

Liquid

1,1-Dichloro-3,3-dimethyl-2-butanone Basic Attributes

Molecular Weight：

169.05

Exact Mass：

169.05

EC Number：

245-111-7

UNII：

Q287GUL608

DSSTox ID：

DTXSID8027822

HScode：

2914700090

Characteristics

PSA：

17.1

XLogP3：

2.7

Appearance：

Liquid

Density：

1.1±0.1 g/cm3

Melting Point：

50-51 °C

Boiling Point：

79-84 °C @ Press: 15 Torr

Flash Point：

65.0±22.3 °C

Refractive Index：

1.447

Vapor Pressure：

1.25mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

2811

hazard class code：

6.1

RTECS Number：

EL7500000

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P301+P312, P304+P340, P311, P321, P330, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P340, P311, P321, P330, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1,1-dichloro-3,3-dimethyl-2-butanone

1,1-Dichloro-3,3-dimethyl-2-butanone Use and Manufacturing

Methods of Manufacturing

The preparation method is to add pinacolone into an enamel reaction kettle, pass chlorine gas to the theoretical amount under cooling, and terminate the reaction to obtain dichloropinacol.

Uses

Used as an intermediate for medicines, pesticides, etc.

Intermediates

Manufacturing Info：

Pesticide, fertilizer, and other agricultural chemical manufacturing|2-Butanone, 1,1-dichloro-3,3-dimethyl-: ACTIVE

Computed Properties

Molecular Weight:169.05
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:168.0108703
Monoisotopic Mass:168.0108703
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Dichloro-3,3-dimethyl-2-butanone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
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1,1-Dichloro-3,3-dimethyl-2-butanone

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