1-Phenylpyrrole
Properties
- Molecular formula
- C10H9N
- Molar mass
- 143.19 g/mol
- Exact mass
- 143.0735 Da
- Melting point
- 62 °C
- Boiling point
- 234 °C
- logP
- 2.48Crippen estimate
- Polar surface area
- 4.9 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
635-90-5SMILES
c1ccc(-n2cccc2)cc1InChIKey
GEZGAZKEOUKLBR-UHFFFAOYSA-NInChI
InChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1H-Pyrrole, 1-phenyl-
- Pyrrole, 1-phenyl-
- 1-Phenyl-1H-pyrrole
- N-Phenylpyrrole
- N-Pyrrolobenzene
- NSC 16581
- N-Phenyl-1H-pyrrole
Work with 1-Phenylpyrrole
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-(4-Chlorophenyl)-1H-pyrrole5044-38-255 % similar
N-(4-Fluorophenyl)pyrrole81329-31-955 % similar
1-(4-Iodophenyl)pyrrole92636-36-755 % similar
1-Phenylimidazole7164-98-950 % similar
1-(3-Bromophenyl)-1H-pyrrole107302-22-748 % similar
1-(4-Methoxyphenyl)-1H-pyrrole5145-71-148 % similar
3-(1H-Pyrrol-1-yl)aniline89353-42-448 % similar
4-(1H-Pyrrol-1-yl)benzoic acid22106-33-843 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.