Basic information
- CAS
1210-43-1- Standard SMILES
CC(=O)c1c(C)nn(-c2ccccc2)c1C- InChIKey
BYBPRELHKWHPLX-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Names & identifiers
- Preferred name
- 1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone
- IUPAC
- 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
- English name
- 1-(3,5-DIMETHYL-1-PHENYL-1H-4-PYRAZOLYL)-1-ETHANONE
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
1210-43-11-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanoneDTXSID80345901RefChem:224082DTXCID302969741-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one1-(3,5-Dimethyl-1-Phenyl-1H-4-Pyrazolyl)-1-Ethanone1-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanoneMFCD00514548Ethanone, 1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-1-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)-ethanone4-acetyl-3,5-dimethyl-1-phenylpyrazole
Show more names
AKOS PAO-0443AKOS BBS-00002527CHEMBRDG-BB 40024081-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethanone(SALTDATA: FREE)
MLS000769662SCHEMBL4130422CHEMBL2137557HMS2809P03BAA21043BBL010618SBB039833STK328152
Database identifiers
- CAS
1210-43-1- PubChem CID
- 607923
- DTXSID
DTXSID80345901
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Solubility29 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- form
- solid
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
Syntechem Co.,Ltd[email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
4 records
Compound notes
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