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CHLOROMETHYLBUTYLETHER

CHLOROMETHYLBUTYLETHER structure

CAS No:
2351-69-1
Formula:
C5H11ClO
Chemical Name:
CHLOROMETHYLBUTYLETHER
Synonyms:
CHLOROMETHYL BUTYL ETHER;1-(chloromethoxy)butane;Butane,1-(chloromethoxy)-;CHLOROMETHYLBUTYLETHER;Chlormethylbutylather;butoxymethyl chloride;1-chloromethoxy-butane;chloromethyl-n-butyl ether;SCHEMBL1127415;CTK4F1662
Categories:
Agrochemicals > Pesticide Intermediates

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CHLOROMETHYLBUTYLETHER Basic Attributes

Molecular Weight：

122.59

Exact Mass：

122.05000

DSSTox ID：

DTXSID00455278

HScode：

2909199090

Characteristics

PSA：

9.23000

XLogP3：

1.99940

Density：

0.951

Boiling Point：

121℃

Flash Point：

39℃

Refractive Index：

1.4141-1.4208

Safety Information

GHS Classification：

|Danger|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+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

CHLOROMETHYLBUTYLETHER Use and Manufacturing

Methods of Manufacturing

The preparation method is to add n-butanol and trioxane into the reaction kettle, pass in hydrogen chloride gas under stirring, and control a certain temperature, control the amount of hydrogen chloride passed in, sample and analyze, after the reaction is completed, stand still for stratification, and the lower layer is hydrochloric acid. The upper layer is chloromethyl butyl ether, which can be distilled to obtain the product after washing with water. 3C4H9OH+(CH2O)3+3HCl→3ClCH2OC4H9+3H2O pure product is a colorless transparent liquid, industrial product is a light yellow liquid, insoluble in water, and miscible with acetone, xylene and other organic solvents.

Uses

Chloromethyl butyl ether is an intermediate of the herbicide butachlor.

Computed Properties

Molecular Weight:122.59
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:122.0498427
Monoisotopic Mass:122.0498427
Topological Polar Surface Area:9.2
Heavy Atom Count:7
Complexity:31.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1,3,5-Trioxane

Xylene

1-Butanol