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4,4,4-Trifluoro-1-phenyl-1,3-butanedione

4,4,4-Trifluoro-1-phenyl-1,3-butanedione structure

CAS No:
326-06-7
Formula:
C10H7F3O2
Chemical Name:
4,4,4-Trifluoro-1-phenyl-1,3-butanedione
Synonyms:
1,3-Butanedione,4,4,4-trifluoro-1-phenyl-;4,4,4-Trifluoro-1-phenyl-1,3-butanedione;3-Benzoyl-1,1,1-trifluoroacetone;1-Phenyl-4,4,4-trifluoro-1,3-butanedione;Benzoyl(trifluoroacetyl)methane;ω-(Trifluoroacetyl)acetophenone;1,1,1-Trifluoro-4-phenyl-2,4-butanedione;1-Phenyl-3-(trifluoromethyl)propane-1,3-dione;1-Benzoyl-3,3,3-trifluoro-2-propanone;4-Phenyl-1,1,1-trifluorobutane-2,4-dione;1-Benzoyl-3,3,3-trifluoroacetone;Benzoyl-1,1,1-trifluoroacetone;NSC 405720;NSC 42628;1,1,1-Trifluoro-3-phenylpropane-1,3-dione;4,4,4-Trifluoro-1-phenylbutan-1,3-dione;BTA;2122853-82-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

WHITE TO YELLOW CRYSTALLINE LOW MELTING SOLID

4,4,4-Trifluoro-1-phenyl-1,3-butanedione Basic Attributes

Molecular Weight：

216.15700

Exact Mass：

216.16

EC Number：

206-307-8

NSC Number：

42628

DSSTox ID：

DTXSID2049268

HScode：

2914700090

Characteristics

PSA：

34.14000

XLogP3：

2.6

Appearance：

white to yellow crystalline low melting solid

Density：

1,113 g/cm3

Melting Point：

39-40.5 °C

Boiling Point：

224 °C @ Press: 760 Torr

Flash Point：

98ºC

Refractive Index：

1.5

Water Solubility：

Sparingly Soluble in water (0.24 g/L) (25°C).

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

4,4,4-TFBP

4,4,4-Trifluoro-1-phenyl-1,3-butanedione Use and Manufacturing

Uses

Benzoyl-1,1,1-trifluoroacetone is a reagent used to prepare diarylpyrazoles as cyclooxygenase 2 inhibitors.

Manufacturing Info：

1,3-Butanedione, 4,4,4-trifluoro-1-phenyl-: ACTIVE

Computed Properties

Molecular Weight:216.16
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:216.03981395
Monoisotopic Mass:216.03981395
Topological Polar Surface Area:34.1
Heavy Atom Count:15
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Benzoic acid

Trifluoroacetic acid

Recommended Suppliers of 4,4,4-Trifluoro-1-phenyl-1,3-butanedione

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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4,4,4-Trifluoro-1-phenyl-1,3-butanedione

CAS No.: 326-06-7

Content: 99.00%

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Wuhan Oner Biotech Co.,Ltd. Contact Supplier

CN
6 YRS

Business licensed

Distributor Supplier of Nutrition supplement material,Pharmaceutical raw material,Chemical raw material

3-Benzoyl-1,1,1-trifluoroacetone

Unit Price: $5.94-6.93 /KG FOB

CAS No.: 326-06-7

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of PVC resin,pvc paste resin,melamine

4,4,4-Trifluoro-1-phenylbutane-1,3-dione 99% high quality see COA KANBEI

CAS No.: 326-06-7

Grade: Industrial Grade

Content: 99%

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Latest News on 4,4,4-Trifluoro-1-phenyl-1,3-butanedione

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Guide of 4,4,4-Trifluoro-1-phenyl-1,3-butanedione

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Downstream Products
Recommended Suppliers
Latest News
Learn More Other Chemicals

4,4,4-Trifluoro-1-phenyl-1,3-butanedione

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