2,5-Dimethyl-1-phenylpyrrole
Properties
- Molecular formula
- C12H13N
- Molar mass
- 171.24 g/mol
- Exact mass
- 171.1048 Da
- Melting point
- 51–52 °C
- Boiling point
- 60–61 °C (at 0.05 Torr)
- logP
- 3.09Crippen estimate
- Polar surface area
- 4.9 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
83-24-9SMILES
Cc1ccc(C)n1-c1ccccc1InChIKey
JNXIFVSGXLGULI-UHFFFAOYSA-NInChI
InChI=1S/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-Pyrrole, 2,5-dimethyl-1-phenyl-
- Pyrrole, 2,5-dimethyl-1-phenyl-
- 2,5-Dimethyl-1-phenyl-1H-pyrrole
- 1-Phenyl-2,5-dimethylpyrrole
- N-Phenyl-2,5-dimethylpyrrole
- NSC 163170
Work with 2,5-Dimethyl-1-phenylpyrrole
Similar compounds
1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole5044-24-656 % similar
N-(4-Acetylphenyl)-2,5-dimethylpyrrole83935-45-947 % similar
2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carboxaldehyde83-18-145 % similar
4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid15898-26-745 % similar
2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-445 % similar
9-Phenylcarbazole1150-62-544 % similar
3,5-Dimethyl-1-phenylpyrazole1131-16-443 % similar
1-[3,5-Bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrole175205-51-343 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.