4-Chloro-8-fluoro-2-methylquinoline - CAS 18615-59-3

Name: 4-Chloro-8-fluoro-2-methylquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014277
Product Name:	4-Chloro-8-fluoro-2-methylquinoline
CAS:	18615-59-3
Synonyms:	4-chloro-8-fluoro-2-methylquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-8-fluoro-2-methylquinoline
Description:	4-Chloro-8-fluoro-2-methylquinoline (CAS# 18615-59-3) is a useful research chemical.
Molecular Weight:	195.62
Molecular Formula:	C10H7ClFN
Canonical SMILES:	CC1=NC2=C(C=CC=C2F)C(=C1)Cl
InChI:	InChI=1S/C10H7ClFN/c1-6-5-8(11)7-3-2-4-9(12)10(7)13-6/h2-5H,1H3
InChI Key:	PKLIYBDVJXLAHP-UHFFFAOYSA-N
Boiling Point:	269.9 °C at 760 mmHg
Density:	1.311 g/cm³
Appearance:	Powder
MDL:	MFCD00272335
LogP:	3.33570

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Related Functional Groups

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine

Other Pyrimidines

[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate

Quinoline/Isoquinoline

[1936054-65-7]C11H9Cl2N
2,4-Dichloro-3,6-dimethylquinoline
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[30740-95-5]C12H16ClNO4
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[892874-65-6]C14H15NO2
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[77156-78-6]C13H13NO4
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[312713-96-5]C14H14ClNO2
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

GHS Hazard Statement:	H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2020131148-A1	Pyrimidine tricyclic enone derivatives for inhibition of ror-gamma and other uses	20161216
WO-2018111315-A1	PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF RORÎ³ AND OTHER USES	20161216
EP-3246028-A1	Quinoline compounds for increasing insuline release	20160518
WO-2017198756-A1	Quinoline compounds for increasing insuline release	20160518
CA-2691450-A1	4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy	20070822

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.0251051
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.0251051
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3