2,5-dimethyl-1-(2-methylpropyl)-1H-pyrrole-3-carbaldehyde
Basic information
- CAS
730950-24-0- Standard SMILES
Cc1cc(C=O)c(C)n1CC(C)C- InChIKey
WTOBFOKEYMYMIF-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- 2,5-dimethyl-1-(2-methylpropyl)-1H-pyrrole-3-carbaldehyde
- IUPAC
- 2,5-dimethyl-1-(2-methylpropyl)pyrrole-3-carbaldehyde
- English name
- 1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-(2-methylpropyl)-
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
730950-24-02,5-dimethyl-1-(2-methylpropyl)-1H-pyrrole-3-carbaldehydeRefChem:444492992-628-51-Isobutyl-2,5-dimethyl-1H-pyrrole-3-carbaldehydeMFCD046215512,5-dimethyl-1-(2-methylpropyl)pyrrole-3-carbaldehydeFEB95024AKOS000202207SB63088CS-0220414EN300-06599
Show more names
1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-(2-methylpropyl)-
G483201-isobutyl-2,5-dimethyl-pyrrole-3-carbaldehydeZ56943549
Database identifiers
- CAS
730950-24-0- PubChem CID
- 2393655
- EC Number
- 992-628-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 284 · 284.0±35.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- pka
- -3.06 · -3.06±0.70(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
H302 (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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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