4-Chloro-7-fluoro-2-methylquinoline - CAS 18529-04-9

Catalog:	BB014215
Product Name:	4-Chloro-7-fluoro-2-methylquinoline
CAS:	18529-04-9
Synonyms:	4-chloro-7-fluoro-2-methylquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-7-fluoro-2-methylquinoline
Description:	4-Chloro-7-fluoro-2-methylquinoline (CAS# 18529-04-9) is a useful research chemical.
Molecular Weight:	195.62
Molecular Formula:	C10H7ClFN
Canonical SMILES:	CC1=NC2=C(C=CC(=C2)F)C(=C1)Cl
InChI:	InChI=1S/C10H7ClFN/c1-6-4-9(11)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3
InChI Key:	BBZQRRHOPBBNRO-UHFFFAOYSA-N
Boiling Point:	269.9 °C at 760 mmHg
Density:	1.311 g/cm³
Appearance:	Powder
MDL:	MFCD00272333
LogP:	3.33570

Publication Number	Title	Priority Date
EP-3246028-A1	Quinoline compounds for increasing insuline release	20160518
WO-2017198756-A1	Quinoline compounds for increasing insuline release	20160518
AU-2016371014-A1	Polycyclic TLR7/8 antagonists and use thereof in the treatment of immune disorders	20151217
CA-3005766-A1	Polycyclic tlr7/8 antagonists and use thereof in the treatment of immune disorders	20151217
EP-3390389-A1	Polycyclic tlr7/8 antagonists and use thereof in the treatment of immune disorders	20151217

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (90.48%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3