Basic information
- CAS
111129-64-7- Standard SMILES
CCc1c(O)nc[nH]c1=O- InChIKey
PYZFNSYJSDPLHL-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Names & identifiers
- Preferred name
- 4,6-Dihydroxy-5-ethylpyrimidine
- IUPAC
- 5-ethyl-4-hydroxy-1H-pyrimidin-6-one
- English name
- 4 6-Dihydroxy-5-ethylpyrimidine 99
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
4,6-dihydroxy-5-ethylpyrimidineRefChem:508085631-212-75-ethylpyrimidine-4,6-diol111129-64-75-ethyl-6-hydroxypyrimidin-4(3H)-one5-ethyl-4-hydroxy-1H-pyrimidin-6-one3603-15-4MFCD001920474 6-DIHYDROXY-5-ETHYLPYRIMIDINE 994(1H)-Pyrimidinone, 5-ethyl-6-hydroxy- (9CI)SCHEMBL2231369
Show more names
5-Ethylpyrimidine-4,6(1H,5H)-dione4 6-Dihydroxy-5-ethylpyrimidine 994 6-DIHYDROXY-5-ETHYLPYRIMIDINE 99%4,6(1H,5H)-Pyrimidinedione, 5-ethyl-4,6(1H,5H)-Pyrimidinedione, 5-ethyl- (9CI)
SCHEMBL14434857DTXSID00379723PYZFNSYJSDPLHL-UHFFFAOYSA-NALBB-030461AKOS005229100AKOS026675659SB56864SS-4694
Database identifiers
- CAS
111129-64-7- PubChem CID
- 2775866
- EC Number
- 631-212-7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 9.41 · 9.41±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
H315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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