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6-Bromo-2,4(1H,3H)-quinazolinedione

HCID 617686
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
88145-89-5
Standard SMILES
O=c1[nH]c(=O)c2cc(Br)ccc2[nH]1
InChIKey
JZDVFUAHGLJVQG-UHFFFAOYSA-N
Molecular formula
C8H5BrN2O2
Average molar mass
241.04 g/mol
Monoisotopic mass
239.95344

Names & identifiers

Preferred name
6-Bromo-2,4(1H,3H)-quinazolinedione
IUPAC
6-bromo-1H-quinazoline-2,4-dione
English name
6-BROMO-2,4(1H,3H)-QUINAZOLINEDIONE
Molecular formula
C8H5BrN2O2
Molecular weight
241.04

Names & synonyms

6-Bromo-2,4(1H,3H)-quinazolinedioneRefChem:540655689-305-388145-89-56-Bromoquinazoline-2,4(1H,3H)-dione6-bromo-1H-quinazoline-2,4-dione6-bromoquinazoline-2,4-diol6-Bromoquinazoline-2,4-dioneMFCD004628682,4(1H,3H)-Quinazolinedione, 6-bromo-6-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dioneDTXSID50347078
Show more names
6-broMo-1,2,3,4-tetrahydroquin6-Bromo-1H,3H-quinazoline-2,4-dione6-Bromoquinazoline-2,4(1H,3H)-dione,97%
AKOS005072759AC-235606-Bromo-2,4(1H,3H)-quinazolinedione #Quinazoline-2,4(1H,3H)-dione, 6-bromo-EN300-263806Z12692120706-bromo-1,3-dihydroquinazoline-2,4-dioneAM20061023

Database identifiers

CAS
88145-89-5
PubChem CID
617686
DTXSID
DTXSID50347078
EC Number
689-305-3
Nikkaji
J2.710.572F

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Formal charge
0
Complexity
257

Physicochemical properties

Melting point
300 · >300
Density
1.752 · 1.752±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
form
Solid
pka
10.37 · 10.37±0.20(Predicted)
color
Off-white
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)
InChIKey
JZDVFUAHGLJVQG-UHFFFAOYSA-N
SMILES
N1C2=C(C=C(Br)C=C2)C(=O)NC1=O
CAS DataBase Reference
88145 · 88145-89-5
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes
Xi,Xn
Risk Statements
22 · 22

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr
UN2811
hs_code
2933599590
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

Uses6-Bromoquinazoline-2,4-dione, also known as hexabromoquinazoline-2,4(1H,3H)-dione, is a common derivative of quinazoline-2,4-one. Quinazoline ones are an important class of compounds containing pyrimidine heterocycles. Due to their simple structure and ease of modification, they are important intermediates in fine chemical and pharmaceutical synthesis and are widely used in antibacterial, anti-inflammatory, antihypertensive, anticonvulsant, and antitumor drugs. Quinazoline-2,4-dione derivatives possess excellent biological activities and have been widely used in pesticides and pharmaceuticals, exhibiting bactericidal, herbicidal, insecticidal, anticonvulsant, and neuroprotective activities. Among them, 6-substituted 2,4-quinazoline diones, due to their broad biological activities, can be used as drugs such as anti-HIV agents and protein tyrosine kinase inhibitors, and also as pesticides such as insecticides and fungicides.

Upstream & downstream products

Upstream raw materials

UreaCarbon dioxide2-AMINO-5-BROMOBENZONITRILEMETHYL 2-AMINO-5-BROMOBENZOATEN,N-DimethylformamideDBU

Suppliers100 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
RIDADR
2811 · UN2811
HazardClass
IRRITANT
HS Code
2933599590 · 2933599590
宁波振岳医药科技有限公司19817745290 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
安徽勇晟医药科技有限公司3307 18017383231 · [email protected]
环生美森医药技术(山东)有限公司0531-88762217 18301471076 · [email protected]
廊坊凯美科思生物科技有限公司15901279280; 15901279280 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海思英化工科技有限公司021-64502386 18017349250 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
武汉爱瑞克科技有限公司027- 51832457 94518350
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
嘉兴诺华化工有限公司18957373295
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
天津詹士顿医药科技有限公司022-60131465 18920720807 · [email protected]