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4,4,4-Trifluoro-1-(4-hydroxyphenyl)-1,3-butanedione

4,4,4-Trifluoro-1-(4-hydroxyphenyl)-1,3-butanedione structure

CAS No:
57965-22-7
Formula:
C10H7F3O3
Chemical Name:
4,4,4-Trifluoro-1-(4-hydroxyphenyl)-1,3-butanedione
Synonyms:
1,3-Butanedione,4,4,4-trifluoro-1-(4-hydroxyphenyl)-;4,4,4-Trifluoro-1-(4-hydroxyphenyl)-1,3-butanedione

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4,4,4-Trifluoro-1-(4-hydroxyphenyl)-1,3-butanedione Basic Attributes

Molecular Weight：

232.15600

Exact Mass：

232.16

DSSTox ID：

DTXSID00377946

HScode：

2914700090

Characteristics

PSA：

54.37000

XLogP3：

2.09640

Density：

1.399g/cm3

Boiling Point：

332.9ºC at 760 mmHg

Flash Point：

155.1ºC

Refractive Index：

1.489

Safety Information

GHS Classification：

|Warning|H302 (50%): 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:232.16
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:232.03472857
Monoisotopic Mass:232.03472857
Topological Polar Surface Area:54.4
Heavy Atom Count:16
Complexity:278
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,4,4-Trifluoro-1-(4-hydroxyphenyl)-1,3-butanedione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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