2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole
Basic information
- CAS
5044-22-4- Standard SMILES
Cc1ccc(C)n1-c1ccc([N+](=O)[O-])cc1- InChIKey
JXJRCFOGAIXRCU-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole
- IUPAC
- 2,5-dimethyl-1-(4-nitrophenyl)pyrrole
- English name
- 2,5-DIMETHYL-1-(4-NITROPHENYL)-1H-PYRROLE
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-4DTXSID90332600RefChem:82929DTXCID402836932,5-dimethyl-1-(4-nitrophenyl)pyrroleMFCD00085038Maybridge1_007286Oprea1_443526SCHEMBL28604247HMS562D04OSM-S-287
Show more names
1-(4-NITROPHENYL)-2,5-DIMETHYLPYRROLE1H-Pyrrole, 2,5-dimethyl-1-(4-nitrophenyl)-
FAA04422AKOS000285565MS-2353SB622592,5-Dimethyl-1-(p-nitrophenyl)pyrroleN-(4'-nitrophenyl)-2,5-dimethylpyrroleCS-0453084ST50407495
Database identifiers
- CAS
5044-22-4- PubChem CID
- 459085
- DTXSID
DTXSID90332600- EC Number
- 676-462-8
- Nikkaji
- J450.219A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 145 · 145-148℃
- CAS DataBase Reference
- 5044 · 5044-22-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- 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
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)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
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Compound notes
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