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1-Chloro-3-methylbutane

1-Chloro-3-methylbutane structure

CAS No:
107-84-6
Formula:
C5H11Cl
Chemical Name:
1-Chloro-3-methylbutane
Synonyms:
Butane,1-chloro-3-methyl-;1-Chloro-3-methylbutane;4-Chloro-2-methylbutane;Isoamyl chloride;Isopentyl chloride;1-Chloro-3,3-dimethylpropane;3-Methylbutyl chloride;3-Methyl-1-chlorobutane;NSC 6528
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Colorless or slightly yellow liquid. Slightly soluble in water; soluble in alcohol and ether.Any of several compounds or mixtures thereof may be referred to by this name, since numerous isomers are possible, the most common of which is 1-chloro- 3-methylbutane. Combustible.

1-Chloro-3-methylbutane Basic Attributes

Molecular Weight：

106.59

Exact Mass：

106.59

EC Number：

203-525-5

UNII：

87D3ZL9F7A

NSC Number：

6528

DSSTox ID：

DTXSID2059354

HScode：

2903199000

Characteristics

PSA：

XLogP3：

2.91

Density：

0.8692 g/cm³ @ Temp: 15 °C

Melting Point：

-104.4 °C

Boiling Point：

98.9 °C

Flash Point：

16°C

Refractive Index：

1.409

Vapor Pressure：

46.2mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

1107

hazard class code：

R11

safety instructions：

16-33

Marks：

F+

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Chloro-3-methylbutane Use and Manufacturing

Uses

Mixture, usually also containing normal amyl chloride. Solvent (nitrocellulose, varnishes, lacquers, neoprene), rotogravure inks, soil fumigation, organic compounds.

Manufacturing Info：

Butane, 1-chloro-3-methyl-: ACTIVE

Computed Properties

Molecular Weight:106.59
XLogP3:2.5
Rotatable Bond Count:2
Exact Mass:106.0549280
Monoisotopic Mass:106.0549280
Heavy Atom Count:6
Complexity:25.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes