Basic information
- CAS
1803581-64-7- Standard SMILES
COCn1ncc(C)c1C=O- InChIKey
YEYKKCYDLRMCEN-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- 1-(methoxymethyl)-4-methyl-1H-pyrazole-5-carbaldehyde
- IUPAC
- 1-(methoxymethyl)-4-methylpyrazole-5-carbaldehyde
- English name
- 1-(methoxymethyl)-4-methyl-1H-pyrazole-5-carbaldehyde
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
1-(methoxymethyl)-4-methyl-1H-pyrazole-5-carbaldehyde1803581-64-7RefChem:427953969-832-82-(methoxymethyl)-4-methylpyrazole-3-carbaldehydeDXC58164EN300-196760Z19626016671-(Methoxymethyl)-4-methyl-1H-pyrazole-5-carboxaldehyde1H-Pyrazole-5-carboxaldehyde, 1-(methoxymethyl)-4-methyl-
Database identifiers
- CAS
1803581-64-7- PubChem CID
- 91662811
- EC Number
- 969-832-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 260.2 · 260.2±30.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 0.51 · 0.51±0.10(Predicted)
- 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.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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