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6,7-Difluoroquinoxaline-2,3(1H,4H)-dione

HCID 822839
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
91895-29-3
Standard SMILES
O=c1[nH]c2cc(F)c(F)cc2[nH]c1=O
InChIKey
KFUMSIBOUBHLIJ-UHFFFAOYSA-N
Molecular formula
C8H4F2N2O2
Average molar mass
198.13 g/mol
Monoisotopic mass
198.0240837

Names & identifiers

Preferred name
6,7-Difluoroquinoxaline-2,3(1H,4H)-dione
IUPAC
6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione
English name
6,7-difluoroquinoxaline-2,3(1H,4H)-dione
Molecular formula
C8H4F2N2O2
Molecular weight
198.13

Names & synonyms

6,7-Difluoroquinoxaline-2,3(1H,4H)-dioneRefChem:538647829-397-691895-29-36,7-difluoro-1,4-dihydroquinoxaline-2,3-dione2,3-Quinoxalinedione, 6,7-difluoro-1,4-dihydro-MFCD009074246,7-Difluoro-1,4-dihydro-2,3-quinoxalinedione6,7-difluoro-1,2,3,4-tetrahydroquinoxaline-2,3-dioneSCHEMBL123451CHEMBL136692orb3181744
Show more names
5,8-dibromo-2,3-dichloroquinoxalineTERT-BUTYL(2-(2-(7-FORMYLPHENOXY)ETHOXY)ETHYL)CARBAMATE
SCHEMBL8121964SCHEMBL10846210DTXSID10356383KFUMSIBOUBHLIJ-UHFFFAOYSA-N6,7-difluoro-2,3-quinoxalinediolSC5103AKOS0224211332,3-dihydroxy-6,7-difluoroquinoxaline

Database identifiers

CAS
91895-29-3
PubChem CID
822839
DTXSID
DTXSID10356383
ChEMBL
CHEMBL136692
EC Number
829-397-6

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
257

Physicochemical properties

storage temp.
Sealed in dry,Room Temperature
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
2933998090 · 2933998090

Safety & regulation

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

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers16 total

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
淄博诚桥医化技术有限公司0533-2196219; 13864320634 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
河南赢创生物科技有限公司16650708709 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海奥德瑞康医药有限公司18902198068 18912886236 · [email protected]

Related reactions

13 records
New reaction record
HRID 53721 reaction equation
HRID 53721As productuspto-grants-1997_04
HRID 53793 reaction equation
HRID 53793As reactantuspto-grants-1997_04
HRID 54309 reaction equation
HRID 54309As productuspto-grants-1997_04
HRID 54381 reaction equation
HRID 54381As reactantuspto-grants-1997_04
HRID 439442 reaction equation
HRID 439442As productuspto-grants-1996_05
HRID 439512 reaction equation
HRID 439512As reactantuspto-grants-1996_05
HRID 1068589 reaction equation
HRID 1068589As productuspto-grants-2001_06
HRID 1134197 reaction equation
HRID 1134197As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
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Compound notes

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