1-Methyl-3-(thiophen-2-YL)-1H-pyrazole-5-carbaldehyde
Basic information
- CAS
879896-48-7- Standard SMILES
Cn1nc(-c2cccs2)cc1C=O- InChIKey
RKARRIJZFBGKSH-UHFFFAOYSA-N- Molecular formula
- C9H8N2OS
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.03573406
Names & identifiers
- Preferred name
- 1-Methyl-3-(thiophen-2-YL)-1H-pyrazole-5-carbaldehyde
- IUPAC
- 1-methyl-3-thiophen-2-ylpyrazole-5-carbaldehyde
- English name
- 1-Methyl-3-thien-2-yl-1H-pyrazole-5-carbaldehyde
- Molecular formula
- C9H8N2OS
- Molecular weight
- 192.24
Names & synonyms
879896-48-71-METHYL-3-THIEN-2-YL-1H-PYRAZOLE-5-CARBALDEHYDE1-METHYL-3-(THIOPHEN-2-YL)-1H-PYRAZOLE-5-CARBALDEHYDE2-methyl-5-thiophen-2-ylpyrazole-3-carbaldehydeMFCD084358841-Methyl-3-(thien-2-yl)-1H-pyrazole-5-carboxaldehyde1H-Pyrazole-5-carboxaldehyde,1-methyl-3-(2-thienyl)-DTXSID90594564SBB091451AKOS006222478MB06110PS-6189
Show more names
1-METHYL-3-THIEN-2-YL-1H-PYRAZOLE-5-CARBOXALDEHYDE1H-Pyrazole-5-carboxaldehyde, 1-methyl-3-(2-thienyl)-1-Methyl-3-thien-2-yl-1H-pyrazole-5-carboxaldehyde 97+%5-Formyl-1-methyl-3-(thien-2-yl)-1H-pyrazole, 2-(5-Formyl-1-methyl-1H-pyrazol-3-yl)thiophene
DB-077161CS-03154921-methyl-3-(2-thienyl)pyrazole-5-carbaldehyde2-methyl-5-(2-thienyl)pyrazole-3-carbaldehydeF721439
Database identifiers
- CAS
879896-48-7- PubChem CID
- 18525809
- DTXSID
DTXSID90594564
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 76 °C · 76 °C
- Boiling point
- 355.9 · 355.9±32.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -0.23 · -0.23±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Hazard Note
- Harmful
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_note
- Harmful
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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