1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole
Basic information
- CAS
5044-23-5- Standard SMILES
Cc1ccc(C)n1-c1ccc(Cl)cc1- InChIKey
NNKFIFOSLJJRES-UHFFFAOYSA-N- Molecular formula
- C12H12ClN
- Average molar mass
- 205.68 g/mol
- Monoisotopic mass
- 205.0658271
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole
- IUPAC
- 1-(4-chlorophenyl)-2,5-dimethylpyrrole
- English name
- 1-(4-Chlorophenyl)-2,5-dimethylpyrrole
- Molecular formula
- C12H12ClN
- Molecular weight
- 205.68
Names & synonyms
5044-23-51-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole1-(4-Chlorophenyl)-2,5-dimethylpyrroleTZT47QAU4UEINECS 225-739-8DTXSID901984801H-Pyrrole, 1-(4-chlorophenyl)-2,5-dimethyl-RefChem:74452DTXCID20120971225-739-8MFCD000274202,5-Dimethyl-1-(4-chlorophenyl)pyrrole
Show more names
1-(4-Chloro-phenyl)-2,5-dimethyl-1H-pyrroleAKOS BB-3530UNII-TZT47QAU4U1H-Pyrrole,1-(4-chlorophenyl)-2,5-dimethyl-SCHEMBL2320353SCHEMBL10341432NSC746144STK197114
Database identifiers
- CAS
5044-23-5- PubChem CID
- 78742
- DTXSID
DTXSID90198480- UNII
- TZT47QAU4U
- EC Number
- 225-739-8
- Nikkaji
- J203.268F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 47 °C · 47 °C
- storage temp.
- Sealed in dry,Room Temperature
- FDA UNII
- 47 QAU4U · TZT47QAU4U
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (97.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Downstream products
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Compound notes
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