4-Hydroxy-2-methyl-7-trifluoromethylquinoline - CAS 15912-66-0

Name: 4-Hydroxy-2-methyl-7-trifluoromethylquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011495
Product Name:	4-Hydroxy-2-methyl-7-trifluoromethylquinoline
CAS:	15912-66-0
Synonyms:	2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
Description:	4-Hydroxy-2-methyl-7-trifluoromethylquinoline (CAS# 15912-66-0) is a useful research chemical.
Molecular Weight:	227.18
Molecular Formula:	C11H8F3NO
Canonical SMILES:	CC1=CC(=O)C2=C(N1)C=C(C=C2)C(F)(F)F
InChI:	InChI=1S/C11H8F3NO/c1-6-4-10(16)8-3-2-7(11(12,13)14)5-9(8)15-6/h2-5H,1H3,(H,15,16)
InChI Key:	IIABTAZQWRTZHG-UHFFFAOYSA-N
Boiling Point:	277.5 °C at 760 mmHg
Density:	1.308 g/cm³
LogP:	3.26760

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

Other Pyrimidines

[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[246847-98-3]C5H4ClFN2
2-Amino-5-chloro-3-fluoropyridine
[1192570-20-9]C11H15F3N4O
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
[113583-35-0]C7H10N2O4S
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

Quinoline/Isoquinoline

[203506-30-3]C11H12N2O
2-Amino-6-methoxy-3-methylquinoline
[938459-19-9]C11H10ClNS
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]C13H12ClN
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[938001-63-9]C11H12ClN3
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[892874-65-6]C14H15NO2
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[891782-60-8]C9H8BrNO
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
EP-3394032-A1	Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases	20151221
WO-2017112678-A1	Compounds and methods for treating, detecting, and identifying compounds to treat apicomplexan parasitic diseases	20151221
US-2020283391-A1	Compounds and Methods for Treating, Detecting, and Identifying Compounds to Treat Apicomplexan Parasitic Diseases	20151221
EP-2621923-A1	N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases	20100929
EP-2621923-B1	N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases	20100929

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.05579836
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.05579836
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8