Basic information
- CAS
17900-68-4- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1C- InChIKey
BQCMHLUBBYCYFL-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- 3,4-Dimethyl-1-phenyl-1H-pyrazol-5(4H)-one
- IUPAC
- 4,5-dimethyl-2-phenyl-4H-pyrazol-3-one
- English name
- 2,4-dihydro-4,5-dimethyl-2-phenyl-3H-pyrazol-3-one
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
17900-68-43,4-Dimethyl-1-phenyl-1H-pyrazol-5(4H)-one4,5-dimethyl-2-phenyl-4H-pyrazol-3-one2,4-Dihydro-4,5-dimethyl-2-phenyl-3H-pyrazol-3-one4,5-dimethyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-oneCHEMBL4245637EINECS 241-844-1Maybridge4_002951SCHEMBL1086022DTXSID00939164HMS1529G03BDBM50463622
Show more names
1-Phenyl-3,4-dimethyl-5(4H)-pyrazolone3,4-Dimethyl-1-phenyl-2-pyrazolin-5-one3H-Pyrazol-3-one, 2,4-dihydro-4,5-dimethyl-2-phenyl-
AKOS010224041NCGC00176375-01DB-330905CS-0336770NS00051735H92807BRD-A43737555-001-01-0
Database identifiers
- CAS
17900-68-4- PubChem CID
- 86633
- DTXSID
DTXSID00939164- ChEMBL
CHEMBL4245637- EC Number
- 241-844-1
- Nikkaji
- J260.787E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 203 °C · 203 °C(Press: 17 Torr)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.77 · 2.77±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
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]
P264, P270, P301+P317, P330, 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
- H302-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Suppliers14 total
成都市久鼎化学技术有限公司18584079237 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海三牧化工技术有限公司021-38681880 13817889927 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
常州捷展化工技术有限公司15861130028 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
常州欣特科化工有限公司519-88298820 15861130028 · [email protected]
南京宁凡医药科技有限公司17368696818
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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