1-Phenylpyrrole - CAS 635-90-5
Catalog: |
BB032207 |
Product Name: |
1-Phenylpyrrole |
CAS: |
635-90-5 |
Synonyms: |
1H-Pyrrole, 1-phenyl-; 1-Phenyl-1H-pyrrole; Pyrrole, 1-phenyl; N-Phenyl-1H-pyrrole; N-Phenylpyrrole; N-Pyrrolobenzene; NSC 16581 |
IUPAC Name: | 1-phenylpyrrole |
Description: | 1-Phenylpyrrole is an inhibitor of CYP450-dependent monooxygenase activity in rat liver microsomes. |
Molecular Weight: | 143.19 |
Molecular Formula: | C10H9N |
Canonical SMILES: | C1=CC=C(C=C1)N2C=CC=C2 |
InChI: | InChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H |
InChI Key: | GEZGAZKEOUKLBR-UHFFFAOYSA-N |
Boiling Point: | 234°C |
Melting Point: | 62°C |
Purity: | ≥95% |
Density: | 0.97±0.1 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | White to Yellow to Orange Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00005343 |
LogP: | 2.47730 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22573396 | 20120701 | Synthesis of atropisomeric 1-phenylpyrrole-derived amino alcohols: new chiral ligands | Chirality |
21985603 | 20120112 | Enantioselectivity in organocatalytic cascade double Michael addition reaction: a theoretical study | The journal of physical chemistry. A |
21105688 | 20101223 | Pentacyano-N,N-dimethylaniline in the excited state. Only locally excited state emission, in spite of the large electron affinity of the pentacyanobenzene subgroup | The journal of physical chemistry. A |
21580640 | 20100313 | 12-(4-Methoxy-phen-yl)-10-phenyl-3,4,5,6,8,10-hexa-azatricyclo-[7.3.0.0]dodeca-1(9),2,4,7,11-penta-ene | Acta crystallographica. Section E, Structure reports online |
20043687 | 20100204 | Intramolecular charge transfer with fluorazene and N-phenylpyrrole | The journal of physical chemistry. A |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.073499291 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 4.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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