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1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione structure

CAS No:
22767-90-4
Formula:
C8H11F3O2
Chemical Name:
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione
Synonyms:
2,4-Hexanedione,1,1,1-trifluoro-5,5-dimethyl-;1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione;(Trifluoroacetyl)pivaloylmethane;Pivaloyltrifluoroacetone;1,1,1-Trifluoro-5,5-dimethylhexane-2,4-dione;2,4-Pentanedione,1,1,1-trifluoro-5,5,5-trimethyl-;6,6,6-Trifluoro-2,2-dimethyl-3,5-hexanedione;1,1,1-Trifluoro-3-pivaloylacetone;5,5-Dimethyl-1,1,1-trifluorohexane-2,4-dione;1,1,1-Trifluoro-5,5-dimethylhexan-2,4-dione
Categories:
Inorganic Chemistry > Elementary Substance

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1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione Basic Attributes

Molecular Weight：

196.16700

Exact Mass：

196.17

EC Number：

245-211-0

DSSTox ID：

DTXSID5066827

HScode：

2914700090

Characteristics

PSA：

34.14000

XLogP3：

2.12310

Appearance：

colorless liquid.

Density：

1.129 g/mL at 25ºC(lit.)

Boiling Point：

39-41 °C @ Press: 17 Torr

Flash Point：

105 °F

Refractive Index：

n20/D 1.407(lit.)

Storage Conditions：

Flammables area

Vapor Pressure：

0.806mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1224 3

wgk germany：

hazard class code：

R10

safety instructions：

S16

Marks：

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

pivaloyltrifluoroacetone

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione Use and Manufacturing

Manufacturing Info：

2,4-Hexanedione, 1,1,1-trifluoro-5,5-dimethyl-: INACTIVE

Computed Properties

Molecular Weight:196.17
XLogP3:2.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:196.07111408
Monoisotopic Mass:196.07111408
Topological Polar Surface Area:34.1
Heavy Atom Count:13
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Content: 99%

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Guide of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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