4-(Trifluoromethyl)-1-indanone - CAS 68755-42-0

Name: 4-(Trifluoromethyl)-1-indanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033625
Product Name:	4-(Trifluoromethyl)-1-indanone
CAS:	68755-42-0
Synonyms:	4-(trifluoromethyl)-2,3-dihydroinden-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(trifluoromethyl)-2,3-dihydroinden-1-one
Description:	4-(Trifluoromethyl)-1-indanone (CAS# 68755-42-0) is a useful research chemical.
Molecular Weight:	200.16
Molecular Formula:	C10H7F3O
Canonical SMILES:	C1CC(=O)C2=C1C(=CC=C2)C(F)(F)F
InChI:	InChI=1S/C10H7F3O/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3H,4-5H2
InChI Key:	LJVBFMQEZSEGRL-UHFFFAOYSA-N
Boiling Point:	67-72 °C (0.1 mmHg)
Melting Point:	38-42 °C
Purity:	95 %
Density:	1.347 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD07772121
LogP:	2.83430

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021000933-A1	Pyrimidinone compounds as chymase inhibitors and application thereof	20190703
CN-108059607-B	Sulfonylacetic acid or sulfonyl acetic acid derivative, and pharmaceutical composition, preparation method and application thereof	20161109
CA-2929753-A1	Substituted uracils and use thereof	20131108
EP-3066097-A1	Salts of 1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1r)- 4-(trifluormethyl)-2,3-dihydro-1h-inden-1-yl]-1,2,3,4-tetrahydropyrimidin-5-carboxylic acid	20131108
EP-3066097-B1	Salts of 1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1r)-4-(trifluormethyl)-2,3-dihydro-1h-inden-1-yl]-1,2,3,4-tetrahydropyrimidin-5-carbonic acid	20131108

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.04489933
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.04489933
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5