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Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester

Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester structure

CAS No:
3702-98-5
Formula:
C6H7Cl3O3
Chemical Name:
Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester
Synonyms:
Butanoic acid,4,4,4-trichloro-3-oxo-,ethyl ester;Acetoacetic acid,4,4,4-trichloro-,ethyl ester;Ethyl 4,4,4-trichloroacetoacetate;Ethyl 4,4,4-trichloro-3-oxobutanoate

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Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester Basic Attributes

Molecular Weight：

233.47700

Exact Mass：

233.48

EC Number：

223-041-8

DSSTox ID：

DTXSID90190520

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

1.87890

Density：

1.437g/cm3

Melting Point：

126-127.5 °C @ Solvent: Ligroine

Boiling Point：

91.5 °C @ Press: 2.5 Torr

Flash Point：

86ºC

Refractive Index：

1.48

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S23-S24/25

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:233.5
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:231.946077
Monoisotopic Mass:231.946077
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Butanoic acid, 4,4,4-trichloro-3-oxo-, ethyl ester

SDS

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