Basic information
- CAS
864068-96-2- Standard SMILES
Cn1nc(-c2ccccc2)cc1C=O- InChIKey
XFGHBJQGDDYIKS-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931294
Names & identifiers
- Preferred name
- 1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde
- IUPAC
- 1-methyl-3-phenylpyrazole-5-carbaldehyde
- English name
- 1-METHYL-3-PHENYL-1H-PYRAZOLE-5-CARBALDEHYDE
- Molecular formula
- C11H10N2O
- Molecular weight
- 186.21
Names & synonyms
1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehydeRefChem:434245640-946-71-methyl-3-phenyl-1H-pyrazole-5-carbaldehyde864068-96-22-methyl-5-phenylpyrazole-3-carbaldehydeMFCD08271941SCHEMBL150946782-Methyl-5-phenyl-2H-pyrazole-3-carbaldehydeDTXSID10428771STL4117981-methyl-3-phenylpyrazole-5-carbaldehyde
Show more names
1-Methyl-3-phenyl-1H-pyrazol5-Formyl-1-methyl-3-phenyl-1H-pyrazole1H-Pyrazole-5-carboxaldehyde, 1-methyl-3-phenyl-1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde97%1-Methyl-3-phenyl-1H-pyrazole-5-carboxaldehyde 97%
AKOS0051695SBB073618AKOS005169540PS-6170SY0813502-methyl-5-phenyl-pyrazole-3-carbaldehydeDB-076617CS-0151224
Database identifiers
- CAS
864068-96-2- PubChem CID
- 7537629
- DTXSID
DTXSID10428771
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 95 °C · 95 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystalline solid
- color
- White
- CAS DataBase Reference
- 864068 · 864068-96-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2933199090 · 2933199090
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, P317, 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.
Safety data
- hs_code
- 2933199090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers28 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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