Basic information
- CAS
33643-94-6- Standard SMILES
O=c1ccnc(-c2ccccc2)[nH]1- InChIKey
JJXBLRJIMBFLMY-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Names & identifiers
- Preferred name
- 2-Phenylpyrimidin-4-ol
- IUPAC
- 2-phenyl-1H-pyrimidin-6-one
- English name
- 4-Hydroxy-2-phenylpyrimidine
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
2-phenylpyrimidin-4-ol33643-94-6127892-81-34-Hydroxy-2-phenylpyrimidine2-phenyl-3,4-dihydropyrimidin-4-one2-phenylpyrimidin-4(3H)-one2-phenyl-1H-pyrimidin-6-one2-phenyl-pyrimidin-4-ol4-Pyrimidinol,2-phenyl-(9CI)MFCD002346182-Phenyl-4-hydroxypyrimidine2-Phenyl-3H-pyrimidin-4-on
Show more names
4(1H)-Pyrimidinone, 2-phenyl-4-HYDROXY-2-PHENYLPYRIMIDINE ISO 9001：2015 REACH
2-phenyl-4(3H)-pyrimidinone2-PHENYL-4-PYRIMIDINOL4(3H)-Pyrimidinone, 2-phenyl-NSC88808Hydroxyphenylpyrimidin2-phenyl-4-pyrimidone2-phenyl-3H-pyrimidin-4-oneSCHEMBL1133436
Database identifiers
- CAS
33643-94-6- PubChem CID
- 259156
- DTXSID
DTXSID70955270- EC Number
- 160-254-4
- Nikkaji
- J2.843.867B
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
- 204 · 204-206 °C(Solv: water (7732-18-5))
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.44 · 8.44±0.40(Predicted)
Safety & regulation
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)
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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers22 total
苏州启航生物科技有限公司18151111370 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
济南知行医药科技有限公司13853152953 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
南通开盛生物科技有限公司13951303301;13951303301 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
2 records
Compound notes
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