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Methyl 4-fluoro-α,γ-dioxobenzenebutanoate

Methyl 4-fluoro-α,γ-dioxobenzenebutanoate structure

CAS No:
39757-34-1
Formula:
C11H9FO4
Chemical Name:
Methyl 4-fluoro-α,γ-dioxobenzenebutanoate
Synonyms:
Benzenebutanoic acid,4-fluoro-α,γ-dioxo-,methyl ester;Methyl 4-fluoro-α,γ-dioxobenzenebutanoate;(4-Fluorobenzoyl)pyruvic acid methyl ester;Methyl (p-fluorobenzoyl)pyruvate;Methyl (4-fluorobenzoyl)pyruvate;Methyl 4-[4-fluorophenyl]-2,4-dioxobutanoate;2226206-05-7

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Methyl 4-fluoro-α,γ-dioxobenzenebutanoate Basic Attributes

Molecular Weight：

224.18500

Exact Mass：

224.19

DSSTox ID：

DTXSID80404188

HScode：

2918300090

Characteristics

PSA：

60.44000

XLogP3：

1.14060

Density：

1.278g/cm3

Melting Point：

120-121 °C

Boiling Point：

348.7ºC at 760 mmHg

Flash Point：

159.2ºC

Refractive Index：

1.504

Safety Information

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:224.18
XLogP3:1.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:224.04848693
Monoisotopic Mass:224.04848693
Topological Polar Surface Area:60.4
Heavy Atom Count:16
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl 4-fluoro-α,γ-dioxobenzenebutanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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