Basic information
- CAS
10250-58-5- Standard SMILES
Cc1cc(C)n(-c2ccccc2)n1- InChIKey
ULPMPUPEFBDQQA-UHFFFAOYSA-N- Molecular formula
- C11H12N2
- Average molar mass
- 172.23 g/mol
- Monoisotopic mass
- 172.10004839
Names & identifiers
- Preferred name
- Dimethylphenylpyrazole
- IUPAC
- 3,5-dimethyl-1-phenylpyrazole
- English name
- 3,5-Dimethyl-1-phenylpyrazole
- Molecular formula
- C11H12N2
- Molecular weight
- 172.23
Names & synonyms
3,5-Dimethyl-1-phenylpyrazole1131-16-43,5-Dimethyl-1-phenyl-1H-pyrazoleDimethylphenylpyrazole1H-Pyrazole, 3,5-dimethyl-1-phenyl-PhenyldimethylpyrazolePyrazole, dimethylphenyl-0SB52BXX7MEINECS 214-462-8DTXSID9061546RefChem:588589DTXCID7033313
Show more names
AKOS B0067491,3-dimethyl-5-phenylpyrazole3,5-Dimethyl-N-phenylpyrazole3,5-Dimethyl-1-phenylpyrazole>1-Phenyl-3,5-dimethyl-1H-pyrazole3 5-DIMETHYL-1-PHENYLPYRAZOLE 97%
214-462-81H-Pyrazole,3,5-dimethyl-1-phenyl-MFCD00020728UNII-0SB52BXX7M3,5-dimethyl-1-phenyl-pyrazole1-Phenyl-3,5-dimethylpyrazole; 3,5-Dimethyl-1-phenylpyrazole; 3,5-Dimethyl-N-phenylpyrazoleEnamine_001158Cambridge id 5118886
Database identifiers
- CAS
10250-58-5、1131-16-4- PubChem CID
- 70800
- DTXSID
DTXSID9061546- UNII
- 0SB52BXX7M
- EC Number
- 214-462-8
- Nikkaji
- J46.121K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 270 · 270-272℃
- Boiling point
- 144 · 144-145°C 12mm
- Density
- 1 · 1,057 g/cm3
- refractive index
- 1.57 · 1.57-1.573
- Flash point
- 144 · 144-145°C/12mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 1.78 · 1.78±0.10(Predicted)
- color
- Clear Light Yellow
- BRN
- 132902 · 132902
- CAS DataBase Reference
- 1131 · 1131-16-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 SB52BXX7M · 0SB52BXX7M
- EPA Substance Registry System
- 1 H-Pyrazole, · 1H-Pyrazole, 3,5-dimethyl-1-phenyl- (1131-16-4)
- Symbol(GHS)
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 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.3%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29331990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrazole, 3,5-dimethyl-1-phenyl-: ACTIVE
Applications
Uses3,5-Dimethyl-1-phenyl-1H-pyrazole is a reactant used in the synthesis of hedgehog enzyme inhibitors SANT-1 and GANT-61 as anticancer agents.
Suppliers71 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
3 records
Compound notes
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