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4,4,4-Trifluoro-1-(4-isopropyl-phenyl)-butane-1,3-dione

4,4,4-Trifluoro-1-(4-isopropyl-phenyl)-butane-1,3-dione - CAS 832738-17-7

Catalog:	BB045619
Product Name:	4,4,4-Trifluoro-1-(4-isopropyl-phenyl)-butane-1,3-dione
CAS:	832738-17-7
Synonyms:	4,4,4-trifluoro-1-[4-(methylethyl)phenyl]butane-1,3-dione

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butane-1,3-dione
Description:	4,4,4-Trifluoro-1-(4-isopropyl-phenyl)-butane-1,3-dione (CAS# 832738-17-7 ) is a useful research chemical.
Molecular Weight:	258.24
Molecular Formula:	C13H13F3O2
Canonical SMILES:	CC(C)C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
InChI:	InChI=1S/C13H13F3O2/c1-8(2)9-3-5-10(6-4-9)11(17)7-12(18)13(14,15)16/h3-6,8H,7H2,1-2H3
InChI Key:	RBHOXSNQVCLOCL-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Fluorinated Building Blocks

[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[51516-70-2]
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-

Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[832740-55-3]
3-[(4-Chloro-2-methylphenoxy)methyl]-4-methoxybenzaldehyde
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.08676414
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	258.08676414
Rotatable Bond Count:	4
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7