Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 167717536Generated: November 4, 2026

1-(2H3)methyl-1H-pyrazole-4-carbaldehyde

https://huagongshe.com/en/chemical/167717536

1-(2H3)methyl-1H-pyrazole-4-carbaldehyde molecular structure

Identifiers & Physical Properties

CAS No.2913418-12-7
Molecular formulaC5H6N2O
Average molar mass113.13 g/mol
Monoisotopic mass113.06684306 g/mol
SMILES[2H]C([2H])([2H])n1cc(C=O)cn1
InChIKeyMYFZXSOYJVWTBL-FIBGUPNXSA-N
PubChem CID167717536
EC No.173-975-4

Chemical & Physical Properties

XLogP-0.3
Topological polar surface area34.9
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds1
Heavy atoms8
Formal charge0
Complexity94.4

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)