Basic information
- CAS
1269293-29-9- Standard SMILES
CC(C)(C)n1ccc(-c2ccccc2)n1- InChIKey
UECGAZMPLYGHSC-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 1-tert-butyl-3-phenyl-1H-pyrazole
- IUPAC
- 1-tert-butyl-3-phenylpyrazole
- English name
- 1-tert-butyl-3-phenyl-1H-pyrazole
- Molecular formula
- C13H16N2
- Molecular weight
- 200.28
Names & synonyms
1269293-29-91-tert-butyl-3-phenyl-1H-pyrazole1-(tert-Butyl)-3-phenyl-1H-pyrazole1-TERT-BUTYL-3-PHENYLPYRAZOLE1H-Pyrazole, 1-(1,1-dimethylethyl)-3-phenyl-SCHEMBL13045974DTXSID90693324AKOS015156336DB-312385F17276
Database identifiers
- CAS
1269293-29-9- PubChem CID
- 53302136
- DTXSID
DTXSID90693324
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
中山市聚科美生物科技有限公司13642727863 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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