4-Chloro-6-(trifluoromethyl)quinazoline - CAS 16499-64-2

Catalog:	BB012158
Product Name:	4-Chloro-6-(trifluoromethyl)quinazoline
CAS:	16499-64-2
Synonyms:	4-chloro-6-(trifluoromethyl)quinazoline; 4-chloro-6-(trifluoromethyl)quinazoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-6-(trifluoromethyl)quinazoline
Description:	4-Chloro-6-(trifluoromethyl)quinazoline (CAS# 16499-64-2) is a useful research chemical.
Molecular Weight:	232.59
Molecular Formula:	C9H4ClF3N2
Canonical SMILES:	C1=CC2=C(C=C1C(F)(F)F)C(=NC=N2)Cl
InChI:	InChI=1S/C9H4ClF3N2/c10-8-6-3-5(9(11,12)13)1-2-7(6)14-4-15-8/h1-4H
InChI Key:	OJNBXNWWYXBHGZ-UHFFFAOYSA-N
Boiling Point:	285.8 °C at 760 mmHg
Density:	1.496 g/cm³
LogP:	3.30200

Publication Number	Title	Priority Date
US-2020038402-A1	Substituted quinazoline sulfonamides as thioredoxin interacting protein (txnip) inhibitors	20171031
CN-102952087-A	Quinazoline ring contained ether compound and its use	20110819
CN-102952087-B	Quinazoline ring contained ether compound and its use	20110819
AU-2011268375-A1	Cyclohexyl-azetidinyl antagonists of CCR2	20100617
AU-2011268375-B2	Cyclohexyl-azetidinyl antagonists of CCR2	20100617

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.0015103
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.0015103
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4