Basic information
- CAS
23239-13-6- Standard SMILES
O=C1CC(CO)C(c2ccccc2)=NN1- InChIKey
UAYIYEKRCXWKAR-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 4,5-dihydro-5-(hydroxymethyl)-6-phenyl-
- IUPAC
- 4-(hydroxymethyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
- English name
- 5-(Hydroxymethyl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
23239-13-63(2H)-Pyridazinone, 4,5-dihydro-5-(hydroxymethyl)-6-phenyl-RefChem:10654575-(Hydroxymethyl)-6-phenyl-4,5-dihydro-2H-pyridazin-3-one5-(Hydroxymethyl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone5-(hydroxymethyl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one4-(hydroxymethyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-oneMFCD01692709BRN 15734334,5-Dihydro-5-(hydroxymethyl)-6-phenyl-3(2H)-pyridazinoneNSC1250065-(hydroxymethyl)-6-phenyl-2,3,4,5-tetrahydropyridazin-3-one
Show more names
3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl-
5-25-02-00042 (Beilstein Handbook Reference)DTXSID101384971SBB093318STK359405AKOS003397860AKOS016340214GA-0720NSC 125006
Database identifiers
- CAS
23239-13-6- PubChem CID
- 98415
- DTXSID
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 163 · 163-165
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933998090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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