3-methyl-1-phenyl-1H-pyrazole
Basic information
- CAS
1128-54-7- Standard SMILES
Cc1ccn(-c2ccccc2)n1- InChIKey
RJXLUGSJEMSDPK-UHFFFAOYSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439833
Names & identifiers
- Preferred name
- 3-methyl-1-phenyl-1H-pyrazole
- IUPAC
- 3-methyl-1-phenylpyrazole
- English name
- 3-Methyl-1-phenylpyrazole
- Molecular formula
- C10H10N2
- Molecular weight
- 158.2
Names & synonyms
3-Methyl-1-phenyl-1H-pyrazole1128-54-7EINECS 214-438-7NSC 163372DTXSID40150179RefChem:503499DTXCID7072670214-438-73-Methyl-1-phenylpyrazole1-Phenyl-3-methylpyrazoleMFCD000031231H-Pyrazole, methylphenyl-
Show more names
3-Methyl-1-phenylpyrazole>3-METHYL-1-PHENYL-1H-PYRAZOLE3-METHYL-1-PHENYLPYRAZOLE 98%3-Methyl-1-phenyl-1H-pyrazole,98%3-Methyl-1-Phenyl-5-Pyrazolone,Gpr3-Methyl-1-phenyl-1H-pyrazole, 98% 2.5GR
Pyrazole, 3-methyl-1-phenyl-1H-Pyrazole, 3-methyl-1-phenyl-1H-Pyrazole,3-Methyl-1-phenyl-NSC163372ChemDiv2_0029063-methyl-1-phenyl-pyrazoleSCHEMBL356155SCHEMBL541634
Database identifiers
- CAS
1128-54-7- PubChem CID
- 70783
- DTXSID
DTXSID40150179- EC Number
- 214-438-7
- Nikkaji
- J46.657C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 34 · 34-36 °C(lit.)
- Boiling point
- 255 · 255-256℃ (752 Torr)
- Density
- 1 · 1,076 g/cm3
- refractive index
- 1.587 · 1.5870 (589.3 nm 20℃)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystals
- pka
- 0.87 · 0.87±0.10(Predicted)
- color
- White
- Water Solubility
- Insoluble in water.
- BRN
- 117870 · 117870
- CAS DataBase Reference
- 1128 · 1128-54-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29331990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-Methyl-1-phenyl-1H-pyrazole is used to produce 3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde at the temperature of 90-100°C with reagent phosphorus oxychloride.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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