3-Bromo-4-chloro-6-trifluoromethylquinoline - CAS 1204810-99-0

Catalog:	BB004892
Product Name:	3-Bromo-4-chloro-6-trifluoromethylquinoline
CAS:	1204810-99-0
Synonyms:	3-bromo-4-chloro-6-(trifluoromethyl)quinoline

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-bromo-4-chloro-6-(trifluoromethyl)quinoline
Description:	3-Bromo-4-chloro-6-trifluoromethylquinoline (CAS# 1204810-99-0) is a useful research chemical.
Molecular Weight:	310.50
Molecular Formula:	C10H4BrClF3N
Canonical SMILES:	C1=CC2=NC=C(C(=C2C=C1C(F)(F)F)Cl)Br
InChI:	InChI=1S/C10H4BrClF3N/c11-7-4-16-8-2-1-5(10(13,14)15)3-6(8)9(7)12/h1-4H
InChI Key:	BNOPQFZALQIKEY-UHFFFAOYSA-N
Purity:	95 %
LogP:	4.66950

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501
Signal Word:	Danger

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	308.91677
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	308.91677
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4