1,5-dimethyl-1H-pyrazole-4-carbaldehyde

HCID 579643

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Basic information

CAS: 25711-30-2
Standard SMILES: Cc1c(C=O)cnn1C
InChIKey: SGNRGSSHBKKIJR-UHFFFAOYSA-N
Molecular formula: C6H8N2O
Average molar mass: 124.14 g/mol
Monoisotopic mass: 124.06366288

Names & identifiers

Preferred name: 1,5-dimethyl-1H-pyrazole-4-carbaldehyde
IUPAC: 1,5-dimethylpyrazole-4-carbaldehyde
English name: 1,5-Dimethyl-1H-pyrazole-4-carbaldehyde
Molecular formula: C6H8N2O
Molecular weight: 124.14

Names & synonyms

1,5-Dimethyl-1H-pyrazole-4-carbaldehyde25711-30-2DTXSID60948590RefChem:417263DTXCID401376820673-180-71,5-dimethylpyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 1,5-dimethyl-1,5-dimethyl-1h-pyrazole-4-carboxaldehydeMFCD00159630AC-27344DS-12496

Show more names

AKOS B000392AKOS PAO-0262CHEMBRDG-BB 4300330ART-CHEM-BB B000392TIMTEC-BB SBB0000161,5-DiMethyl-4-forMylpyrazole1,5-dimethyl-4-pyrazolecarboxaldehyde1,5-Dimethylpyrazole-4-carboxaldehyde,5-Dimethyl-1H-pyrazole-4-carbaldehyde

Pyrazole-4-carboxaldehyde, 1,5-dimethyl-BCP22832BCP90000391,5-DimeFT-0676664SCHEMBL170156SCHEMBL14844745ALBB-000182

Database identifiers

CAS: 25711-30-2
PubChem CID: 579643
DTXSID: DTXSID60948590
EC Number: 673-180-7

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 34.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 116

Physicochemical properties

Melting point: 60 ℃ · 60℃
Boiling point: 110 · 110-112℃ (760 Torr)
Density: 1.11 · 1.11±0.1 g/cm3 (20 ºC 760 Torr)
Flash point: 92.3 · 92.3±21.8℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 0.75 · 0.75±0.10(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.