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Ethyl 4-chlorobutyrate

Ethyl 4-chlorobutyrate structure

CAS No:
3153-36-4
Formula:
C6H11ClO2
Chemical Name:
Ethyl 4-chlorobutyrate
Synonyms:
Butanoic acid,4-chloro-,ethyl ester;Butyric acid,4-chloro-,ethyl ester;Ethyl 4-chlorobutyrate;Ethyl 4-chlorobutanoate;Ethyl γ-chlorobutyrate;Ethyl ω-chlorobutyrate;4-Chlorobutyric acid ethyl ester;NSC 81215
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear yellow to brownish liquid

Ethyl 4-chlorobutyrate Basic Attributes

Molecular Weight：

150.6

Exact Mass：

150.60

BRN：

1098810

EC Number：

221-591-3

NSC Number：

81215

DSSTox ID：

DTXSID90185431

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

1.70

Appearance：

Clear yellow to brownish Liquid

Density：

1.1±0.1 g/cm3

Melting Point：

-70ºC

Boiling Point：

184 °C

Flash Point：

125 °F

Refractive Index：

1.426

Water Solubility：

H2O: Insoluble

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

1993

wgk germany：

hazard class code：

36/37/38-22-10

safety instructions：

26-36-37/39-16-24/25

Marks：

Xi,Xn

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (69.09%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 55 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 4-chlorobutyrate Use and Manufacturing

Reagent used in the preparation of cyclopropane derivatives.

Computed Properties

Molecular Weight:150.60
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:150.0447573
Monoisotopic Mass:150.0447573
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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