6-Bromo-2,4(1H,3H)-quinazolinedione - CAS 88145-89-5

Catalog:	BB038750
Product Name:	6-Bromo-2,4(1H,3H)-quinazolinedione
CAS:	88145-89-5
Synonyms:	6-bromo-1H-quinazoline-2,4-dione; 6-bromo-1H-quinazoline-2,4-dione

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-1H-quinazoline-2,4-dione
Description:	6-Bromo-2,4(1H,3H)-quinazolinedione (CAS# 88145-89-5) is a useful research chemical.
Molecular Weight:	241.04
Molecular Formula:	C8H5BrN2O2
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=O)NC(=O)N2
InChI:	InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
InChI Key:	JZDVFUAHGLJVQG-UHFFFAOYSA-N
MDL:	MFCD00462868
LogP:	0.97890

Publication Number	Title	Priority Date
CN-111454222-A	Synthetic method of 2,4- (1H, 3H) -quinazoline diketone and derivative thereof	20200228
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
WO-2021011631-A1	Fused-glutarimide crbn ligands and uses thereof	20190715
US-2021087193-A1	Triazoloquinazolinone synthesis	20171219
WO-2019104324-A1	Ghsr1a antagonist for prader-willi syndrome treatment	20171127

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Related Functional Groups

Quinazolines

[959236-83-0]
8-(Trifluoromethoxy)quinazoline-2,4(1H,3H)-dione
[202475-65-8]
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[21599-37-1]
2-Amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline
[19815-16-8]
4-Chloro-6-nitroquinazoline
[27631-29-4]
2,4-Dichloro-6,7-dimethoxyquinazoline

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.95344
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	239.95344
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5