4-Chloro-7-(trifluoromethyl)quinazoline - CAS 16499-65-3

Catalog:	BB012159
Product Name:	4-Chloro-7-(trifluoromethyl)quinazoline
CAS:	16499-65-3
Synonyms:	4-chloro-7-(trifluoromethyl)quinazoline; 4-chloro-7-(trifluoromethyl)quinazoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-7-(trifluoromethyl)quinazoline
Description:	4-Chloro-7-(trifluoromethyl)quinazoline (CAS# 16499-65-3) is a useful research chemical.
Molecular Weight:	232.59
Molecular Formula:	C9H4ClF3N2
Canonical SMILES:	C1=CC2=C(C=C1C(F)(F)F)N=CN=C2Cl
InChI:	InChI=1S/C9H4ClF3N2/c10-8-6-2-1-5(9(11,12)13)3-7(6)14-4-15-8/h1-4H
InChI Key:	IJNDITTYYNJLPT-UHFFFAOYSA-N
Boiling Point:	285.8 °C at 760 mmHg
Density:	1.496 g/cm³
MDL:	MFCD09837196
LogP:	3.30200

Publication Number	Title	Priority Date
US-2020352942-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020210404-A1	Dosage forms and regimens for amino acid compounds	20190408
TW-201938158-A	Amino acid compound and method of use	20180307
US-2019276449-A1	Amino acid compounds and methods of use	20180307
WO-2019173653-A1	Amino acid compounds and methods of use	20180307

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Related Functional Groups

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[199114-62-0]
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[19062-39-6]
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[20197-97-1]
2-Chloro-6-methoxyquinazolin-4(3H)-one
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7-Bromo-2,4,6-trichloro-5,8-difluoroquinazoline
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
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Intermediate 2 of Canertinib

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