Basic information
- CAS
2435-76-9- Standard SMILES
N#[N+]c1cnc([O-])[nH]c1=O- InChIKey
XFLJNCDBYCPPTE-UHFFFAOYSA-N- Molecular formula
- C4H2N4O2
- Average molar mass
- 138.08 g/mol
- Monoisotopic mass
- 138.01777532
Overview
5-diazouracil is a diazo compound. It is functionally related to a uracil.
Names & identifiers
- Preferred name
- 5-Diazouracil
- IUPAC
- 5-diazonio-6-oxo-1H-pyrimidin-2-olate
- English name
- 5-DIAZOURACIL
- Molecular formula
- C4H2N4O2
- Molecular weight
- 138.08
Names & synonyms
5-DiazouracilDiazouracil2435-76-9Uracil, 5-diazo-2,6-Dioxo-5-diazopyrimidine5-Diazopyrimidine-2,4(3H)-dioneNSC 235192,4-Diossi-5-diazopirimidina2,4(3H,5H)-Pyrimidinedione, 5-diazo-5-diazonio-6-oxo-1H-pyrimidin-2-olate2,4(1H,3H)-Pyrimidinedione, 5-diazo-NSC-23519
Show more names
5-Diouracil5-diazo-uraciraybin's reagentDiouracilmonohydrate5-DIAZO-2,4-DIHYDROXYPYRIMIDINE
(1,2,3)Oxadiazolo(5,4-d)pyrimidin-5(4H)-one14WEC5S62WDU5-Diazouracil (VAN)NSC23519CCRIS 6839EINECS 219-427-05-Diazo-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
2435-76-9- PubChem CID
- 73266
- DTXSID
DTXSID0062420- ChEMBL
CHEMBL3275226- ChEBI
CHEBI:34454- UNII
- 14WEC5S62W
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 198 °C · 198°C (rough estimate)
- Boiling point
- 253.44 °C · 253.44°C (rough estimate)
- Density
- 1.6808 · 1.6808 (rough estimate)
- refractive index
- 1.801 · 1.8010 (estimate)
- FDA UNII
- 14 WEC5S62W · 14WEC5S62W
- EPA Substance Registry System
- 2 · 2,4(3H,5H)-Pyrimidinedione, 5-diazo- (2435-76-9)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 332 · H332-H302-H242
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H332-H302-H242
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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