Basic information
- CAS
1195-08-0- Standard SMILES
O=Cc1cc(=O)[nH]c(=O)[nH]1- InChIKey
VUQNLIDVEFIQLP-UHFFFAOYSA-N- Molecular formula
- C5H4N2O3
- Average molar mass
- 140.1 g/mol
- Monoisotopic mass
- 140.02219199
Names & identifiers
- Preferred name
- 6-Formyluracil
- IUPAC
- 2,4-dioxo-1H-pyrimidine-6-carbaldehyde
- English name
- 6-Formyl-uracil monohydrate
- Molecular formula
- C5H4N2O3
- Molecular weight
- 140.1
Names & synonyms
36327-91-0Orotaldehyde6-Formyluracil7IE4ID24Y6NSC-104159NSC 1041591,2,3,6-Tetrahydro-2,4-dioxo-6-pyrimidinecarboxaldehyde6-Pyrimidinecarboxaldehyde, 1,2,3,6-tetrahydro-2,4-dioxo-RefChem:5432992,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde2,4-dioxo-1H-pyrimidine-6-carbaldehyde2,6-DIHYDROXYPYRIMIDINE-4-CARBALDEHYDE
Show more names
OROTALALDEHYDEUracil Impurity 4RARECHEM AH CK 01076-URACILCARBOXALDEHYDE6-FORMYL-URACIL HYDRATE6-FORMYLURACIL MONOHYDATE4-FORMYLURACIL MONOHYDRATE6-Formyl-uracil monohydrate
orotic aldehydeCID709516-Formyluracil, 11Piracetam EP Impurity 3UNII-F2SUM4W8EBNCIOpen2_001702UNII-7IE4ID24Y6CCRIS 8816
Database identifiers
- CAS
1195-08-0、36327-91-0- PubChem CID
- 70951
- DTXSID
DTXSID30957679- ChEMBL
CHEMBL5630767- UNII
- 7IE4ID24Y6
- EC Number
- 671-445-1
- Nikkaji
- J1.914.115B
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 340 ℃ · 340℃ (dec.)
- Density
- 1.567 · 1.567±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- pka
- 5.63 · 5.63±0.10(Predicted)
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C5H4N2O3/c8-2-3-1-4(9)7-5(10)6-3/h1-2H,(H2,6,7,9,10)
- InChIKey
- VUQNLIDVEFIQLP-UHFFFAOYSA-N
- SMILES
- C1(=O)NC(=O)C=C(C=O)N1
- CAS DataBase Reference
- 36327 · 36327-91-0(CAS DataBase Reference)
- FDA UNII
- 7 IE4ID24Y6 · 7IE4ID24Y6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesUracil-6-carboxaldehyde monohydrate is used as pharmaceutical intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers40 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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