Basic information
- CAS
25844-72-8- Standard SMILES
O=c1cnc(-c2ccccc2)c[nH]1- InChIKey
BMGVFXUMEAYBAO-UHFFFAOYSA-N- Molecular formula
- C10H8N2O
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.06366288
Names & identifiers
- Preferred name
- 5-phenyl-1H-pyrazin-2-one
- IUPAC
- 5-phenyl-1H-pyrazin-2-one
- English name
- 5-PHENYL-1H-PYRAZIN-2-ONE
- Molecular formula
- C10H8N2O
- Molecular weight
- 172.18
Names & synonyms
5-phenyl-1H-pyrazin-2-one25844-72-85-Phenylpyrazin-2(1H)-one5-Phenyl-1,2-dihydropyrazin-2-oneMFCD082776205-phenylpyrazin-2-ol2(1H)-Pyrazinone, 5-phenyl-2(1H)-Pyrazinone,5-phenyl-5-phenylpyrazinol5-phenyl pyrazinone5-Phenyl-2-pyrazinol5-Phenyl-pyrazin-2-ol
Show more names
5-Phenyl-2-pyrazinol #5-Phenyl-2-hydroxypyrazine5-phenylpyrazin-2(1H)oneSCHEMBL6951965-Phenyl-2-(1H)-pyrazinoneSCHEMBL81367235-phenyl-2-(1-H)-pyrazinonePyrazine, 2-hydroxy-5-phenyl-
Database identifiers
- CAS
25844-72-8- PubChem CID
- 599037
- DTXSID
DTXSID70344721- EC Number
- 127-484-7
- Nikkaji
- J1.175.411B
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
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
Related reactions
12 records
Compound notes
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