1-Phenylpyrrole - CAS 635-90-5

Name: 1-Phenylpyrrole
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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