4-Chloro-6-trifluoromethylquinoline - CAS 49713-56-6

Catalog:	BB026801
Product Name:	4-Chloro-6-trifluoromethylquinoline
CAS:	49713-56-6
Synonyms:	4-chloro-6-(trifluoromethyl)quinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-6-(trifluoromethyl)quinoline
Description:	4-Chloro-6-trifluoromethylquinoline (CAS# 49713-56-6) is a useful research chemical.
Molecular Weight:	231.60
Molecular Formula:	C10H5ClF3N
Canonical SMILES:	C1=CC2=NC=CC(=C2C=C1C(F)(F)F)Cl
InChI:	InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H
InChI Key:	FTNQANJWBFKPIP-UHFFFAOYSA-N
Boiling Point:	265.51 °C at 760 mmHg
Melting Point:	48 °C
Purity:	95 %
Density:	1.428 g/cm³
MDL:	MFCD00153106
LogP:	3.90700

Publication Number	Title	Priority Date
US-2020062728-A1	Quinoline-based compounds and methods of inhibiting cdk8/19	20180821
US-11014906-B2	Quinoline-based compounds and methods of inhibiting CDK8/19	20180821
US-2021276956-A1	Quinoline-based compounds and methods of inhibiting cdk8/19	20180821
CN-110452168-A	N- phenyl-N- quinoline carboxylic acid compound and its preparation method and medicinal usage	20180507
US-2020095231-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20170512

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GHS Hazard Statement:	H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (13.95%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.0062613
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.0062613
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7