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4-Chloro-1-butanol

4-Chloro-1-butanol structure

CAS No:
928-51-8
Formula:
C4H9ClO
Chemical Name:
4-Chloro-1-butanol
Synonyms:
1-Butanol,4-chloro-;4-Chloro-1-butanol;Tetramethylene chlorohydrin;4-Chlorobutanol;4-Chloro-1-hydroxybutane;ω-Chlorobutanol;1-Chloro-4-butanol;NSC 10810;2-(2-Chloroethyl)ethanol;4-Chlorobutyl alcohol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

CLEAR COLOURLESS LIQUID

4-chlorobutanol is a primary alcohol that is butan-1-ol substituted by a chloro group at position 4. It has a role as a metabolite. It is a primary alcohol and an organochlorine compound. It derives from a butan-1-ol.

4-Chloro-1-butanol Basic Attributes

Molecular Weight：

108.565

Exact Mass：

108.57

EC Number：

213-175-5

UNII：

42EI3I5AY0

NSC Number：

10810

DSSTox ID：

DTXSID2061301

HScode：

2905590090

Characteristics

PSA：

20.2

XLogP3：

0.8

Appearance：

Slightly yellow liquid

Density：

1.0883 g/cm³ @ Temp: 20 °C

Boiling Point：

84-85 °C

Flash Point：

77.2±18.0 °C

Refractive Index：

1.434

Storage Conditions：

2-8ºC

Safety Information

Packing level：

Ⅱ

Hazard category：

3.2

Transport codes：

2611

wgk germany：

hazard class code：

6.1,3

safety instructions：

S23-S24/25-S36/37/39-S26-S16

RTECS Number：

EL1325000

Marks：

Xn:Harmful;

Precautionary statement(s)：

P210-P280-P301 + P312 + P330-P305 + P351 + P338-P370 + P378

Hazard Statements：

H226-H290-H302-H315-H319-H335-H351

GHS Classification：

|Warning|H226 (91.49%): 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 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-chloro-1-butanol

4-Chloro-1-butanol Use and Manufacturing

Uses

Tetramethylene chlorohydrin is used inorganic synthesis.

Manufacturing Info：

1-Butanol, 4-chloro-: ACTIVE

Computed Properties

Molecular Weight:108.57
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:108.0341926
Monoisotopic Mass:108.0341926
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:23.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 928-51-8

Grade: Pharmaceutical Grade

Content: 99%

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