1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde
Basic information
- CAS
30186-41-5- Standard SMILES
O=Cc1cccn1-c1ccc([N+](=O)[O-])cc1- InChIKey
HAWFRXCIWBFGHH-UHFFFAOYSA-N- Molecular formula
- C11H8N2O3
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.05349212
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde
- IUPAC
- 1-(4-nitrophenyl)pyrrole-2-carbaldehyde
- English name
- 1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde
- Molecular formula
- C11H8N2O3
- Molecular weight
- 216.19
Names & synonyms
1-(4-Nitrophenyl)-1H-pyrrole-2-carbaldehyde30186-41-5DTXSID403404571-{4-nitrophenyl}-1H-pyrrole-2-carbaldehydeRefChem:225527DTXCID60291538849-525-41-(4-nitrophenyl)pyrrole-2-carbaldehydeMFCD00452154F0273-00631-(4-Nitro-phenyl)-1H-pyrrole-2-carbaldehydeOprea1_607442
Show more names
AKOS B006903AKOS AUF01650ART-CHEM-BB B0069031-(4-nitrophenyl)-2-pyrrolecarboxaldehyde1-(4-NITROPHENYL)-1H-PYRROLE-2-CARBOXALDEHYDE1H-Pyrrole-2-carboxaldehyde,1-(4-nitrophenyl)-
SCHEMBL28905181SMSSF-00418841-(4-nitrophenyl)-2-formylpyrroleALBB-008834BBL018858SBB020407STK266251AKOS000113498
Database identifiers
- CAS
30186-41-5- PubChem CID
- 564844
- DTXSID
DTXSID40340457- EC Number
- 849-525-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 166.5 °C · 166.5 °C
- Boiling point
- 398.6 · 398.6±22.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -10.2 · -10.20±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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, P317, 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 information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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