Basic information
- CAS
4425-56-3- Standard SMILES
N#Cc1c[nH]c(=O)[nH]c1=O- InChIKey
HAUXRJCZDHHADG-UHFFFAOYSA-N- Molecular formula
- C5H3N3O2
- Average molar mass
- 137.1 g/mol
- Monoisotopic mass
- 137.02252635
Names & identifiers
- Preferred name
- 5-Cyanouracil
- IUPAC
- 2,4-dioxo-1H-pyrimidine-5-carbonitrile
- English name
- 5-Cyanouracil
- Molecular formula
- C5H3N3O2
- Molecular weight
- 137.1
Names & synonyms
5-Cyanouracil4425-56-3DTXSID70196080RefChem:535091DTXCID801185712,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile2,4-dihydroxypyrimidine-5-carbonitrile2,4-dioxo-1H-pyrimidine-5-carbonitrileMFCD000519585-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo-CHEMBL443038NSC667760
Show more names
5-Cyanouracil CAS NO.4425-56-35-CYANO-2,4-DIHYDROXYPYRIMIDINE2,4(1H,3H)-Pyrimidinedione, 5-cyano-2,4-Dihydroxy-5-pyrimidinecarbonitrile2,4-diketo-1H-pyrimidine-5-carbonitrile5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo- (6CI,7CI,8CI,9CI)
24-Dioxo-1234-tetrahydropyrimidine-5-carbonitrile5-Cyano uracilNSC12931NSC 12931NSC 441925-Cyanouracil, AldrichCPRSCHEMBL1894515-cyano-6-aryl-2-thiouracil
Database identifiers
- CAS
4425-56-3- PubChem CID
- 78145
- DTXSID
DTXSID70196080- ChEMBL
CHEMBL443038- EC Number
- 803-847-1
- Nikkaji
- J1.583.950C
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 270
Experimental & physicochemical properties
LogP-0.93
Physicochemical properties
- Melting point
- 295 °C · 295 °C (decomp)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 5.76 · 5.76±0.10(Predicted)
- color
- White to Orange to Green
- CAS DataBase Reference
- 4425 · 4425-56-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers80 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [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]
河南金巴克新材料科技有限公司18737135779 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
5 records
Compound notes
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