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1-Chloro-4-methoxybutane

1-Chloro-4-methoxybutane structure

CAS No:
17913-18-7
Formula:
C5H11ClO
Chemical Name:
1-Chloro-4-methoxybutane
Synonyms:
Butane,1-chloro-4-methoxy-;Ether,4-chlorobutyl methyl;1-Chloro-4-methoxybutane;4-Chlorobutyl methyl ether;4-Methoxy-1-chlorobutane;δ-Chlorobutyl methyl ether;4-Methoxybutyl chloride;Methyl 4-chlorobutyl ether;NSC 83550
Categories:
Active Pharmaceutical Ingredients > Nervous System Drugs

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Description

Colorless Oil

1-Chloro-4-methoxybutane Basic Attributes

Molecular Weight：

122.59

Exact Mass：

122.59

EC Number：

241-858-8

NSC Number：

83550

DSSTox ID：

DTXSID60170773

HScode：

2909199090

Characteristics

PSA：

9.2

XLogP3：

1.33

Appearance：

Colourless liquid

Density：

0.9875 g/cm³ @ Temp: 20 °C

Boiling Point：

142.5-142.8 °C

Flash Point：

47.8±17.9 °C

Refractive Index：

1.408

Vapor Pressure：

8.41mmHg at 25°C

Safety Information

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Warning|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, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:122.59
XLogP3:1.4
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

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