Basic information
- CAS
2166-32-7- Standard SMILES
Cc1ccc(-c2ccc(=O)[nH]n2)cc1- InChIKey
LARMXWJBFDZFNL-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931294
Names & identifiers
- Preferred name
- 6-(4-Methylphenyl)pyridazin-3-ol
- IUPAC
- 3-(4-methylphenyl)-1H-pyridazin-6-one
- English name
- 6-(p-Tolyl)-3(2H) pyridazinone
- Molecular formula
- C11H10N2O
- Molecular weight
- 186.21
Names & synonyms
2166-32-76-(4-methylphenyl)pyridazin-3-olDTXSID10350745RefChem:539445DTXCID50301812838-454-46-(p-tolyl)pyridazin-3(2H)-one6-(4-methylphenyl)pyridazin-3(2H)-one3(2H)-Pyridazinone, 6-(4-methylphenyl)-3-(4-methylphenyl)-1H-pyridazin-6-one6-(4-Methylphenyl)-3(2H)-pyridazinoneMFCD03412038
Show more names
6-(p-Tolyl)-3(2H) pyridazinone
6-p-Tolylpyridazin-3(2H)-oneChemDiv2_0029926-(p-tolyl)pyridazin-3-olMLS000096005F1967-0296SCHEMBL1225843CHEMBL1376438SCHEMBL11035831
Database identifiers
- CAS
2166-32-7- PubChem CID
- 687205
- DTXSID
DTXSID10350745- ChEMBL
CHEMBL1376438- EC Number
- 838-454-4
- Nikkaji
- J685.147I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 220 · 220-221 °C
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 11.12 · 11.12±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
1 records
Compound notes
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