Basic information
- CAS
22433-69-8- Standard SMILES
O=c1[nH]cncc1-c1ccccc1- InChIKey
ZRDUKPHQUPBKHQ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Names & identifiers
- Preferred name
- 5-Phenylpyrimidin-4-ol
- IUPAC
- 5-phenyl-1H-pyrimidin-6-one
- English name
- 5-Phenylpyrimidine-4-ol
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
5-phenylpyrimidin-4-olRefChem:537736820-063-522433-69-85-phenylpyrimidin-4(3H)-one4-Pyrimidinol, 5-phenyl-5-phenyl-1H-pyrimidin-6-one5-Phenyl-4-pyrimidinol5-Phenylpyrimidine-4-ol4(3H)-Pyrimidinone,5-phenyl-SCHEMBL6764983SCHEMBL9144140
Show more names
4(3H)-Pyrimidinone, 5-phenyl-
DTXSID00176971Pyrimidine, 4-hydroxy-5-phenyl-ZRDUKPHQUPBKHQ-UHFFFAOYSA-NXAA43369AKOS002664540AKOS026542500AT33280SB57057
Database identifiers
- CAS
22433-69-8- PubChem CID
- 211147
- DTXSID
DTXSID00176971- EC Number
- 820-063-5
- Nikkaji
- J90.416C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 173 · 173-174 °C
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 8.6 · 8.60±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H312-H335-H332-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H312-H335-H332-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
MolMall Sarl[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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