6-Chloro-7-bromo-3H-quinazolin-4-one - CAS 17518-98-8

Catalog:	BB013090
Product Name:	6-Chloro-7-bromo-3H-quinazolin-4-one
CAS:	17518-98-8
Synonyms:	7-bromo-6-chloro-3H-quinazolin-4-one; 7-bromo-6-chloro-3H-quinazolin-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-bromo-6-chloro-3H-quinazolin-4-one
Description:	6-Chloro-7-bromo-3H-quinazolin-4-one (CAS# 17518-98-8) is an important intermediate in the manufacturing of the anticoccidial drug (coccidiostat) halofuginone (Tempostatin).
Molecular Weight:	259.49
Molecular Formula:	C8H4BrClN2O
Canonical SMILES:	C1=C2C(=CC(=C1Cl)Br)N=CNC2=O
InChI:	InChI=1S/C8H4BrClN2O/c9-5-2-7-4(1-6(5)10)8(13)12-3-11-7/h1-3H,(H,11,12,13)
InChI Key:	RFCXXKWROOFQSI-UHFFFAOYSA-N
Boiling Point:	481.8 °C at 760 mmHg
Density:	1.95 g/cm³
MDL:	MFCD10000555
LogP:	2.33900

Publication Number	Title	Priority Date
CN-113512024-A	Novel synthesis process for preparing bulk drug halofuginone hydrobromide for veterinary use	20210827
CN-112409272-A	Preparation method and application of 6-chloro-7-bromo-4 (3H) -quinazolinone	20201126
CN-110590743-A	Preparation method of trans-halofuginone hydrobromide and intermediate thereof	20191021
WO-2020134212-A1	Synthesis method for halofuginone and intermediate thereof	20181228
US-2020181118-A1	Fused ring compounds	20181109

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Related Functional Groups

Quinazolines

[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
[202475-65-8]
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[333785-55-0]
3-(2-Furylmethyl)-2-mercaptoquinazolin-4(3H)-one
[20198-18-9]
2-Amino-7-chloro-3H-quinazolin-4-one
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.91955
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	257.91955
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2