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Ethyl 4-bromo-3-oxopentanoate

Ethyl 4-bromo-3-oxopentanoate structure

CAS No:
36187-69-6
Formula:
C7H11BrO3
Chemical Name:
Ethyl 4-bromo-3-oxopentanoate
Synonyms:
ethyl 4-bromo-3-oxopentanoate;Pentanoicacid, 4-bromo-3-oxo-, ethyl ester;ethyl 4-bromo-3-oxovalerate;ethyl 4bromo-3-oxopentanoate;SCHEMBL970303;ethyl (a-bromopropionyl)acetate;ethyl-4-bromo-3-oxo-pentanoate;CTK4H6053;DTXSID60509680;1634AE

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Ethyl 4-bromo-3-oxopentanoate Basic Attributes

Molecular Weight：

223.06444

Exact Mass：

221.98900

DSSTox ID：

DTXSID60509680

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

1.29210

Density：

1.41g/cm3

Boiling Point：

242.64ºC at 760 mmHg

Flash Point：

100.545ºC

Refractive Index：

1.468

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

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

Hazard Statements：

H227

GHS Classification：

|Warning|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+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.

Computed Properties

Molecular Weight:223.06
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:221.98916
Monoisotopic Mass:221.98916
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:156
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 4-bromo-3-oxopentanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Ethyl 4-bromo-3-oxopentanoate

SDS

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