2-Phenyl-1H-pyrrole - CAS 3042-22-6

Catalog:	BB020589
Product Name:	2-Phenyl-1H-pyrrole
CAS:	3042-22-6
Synonyms:	2-phenyl-1H-pyrrole; 2-phenyl-1H-pyrrole

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Computed Properties

IUPAC Name:	2-phenyl-1H-pyrrole
Description:	2-Phenyl-1H-pyrrole (CAS# 3042-22-6 ) is a useful research chemical.
Molecular Weight:	143.19
Molecular Formula:	C10H9N
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=CN2
InChI:	InChI=1S/C10H9N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8,11H
InChI Key:	IRTLROCMFSDSNF-UHFFFAOYSA-N
Boiling Point:	302.4 °C at 760 mmHg
Density:	1.076 g/cm³
MDL:	MFCD00963556
LogP:	2.68170

Publication Number	Title	Priority Date
JP-2021152083-A	Pest control method	20210702
JP-2021152084-A	Pest control method	20210702
JP-2021152085-A	Pest control method	20210702
JP-2021138753-A	Pest control method for harmful arthropods using heterocyclic compounds	20210610
JP-2021102661-A	Pest control composition and control method	20210416

PMID	Publication Date	Title	Journal
22748479	20121010	Synthetic cannabinoids in 'spice-like' herbal blends: first appearance of JWH-307 and recurrence of JWH-018 on the German market	Forensic science international
22902811	20121001	Roles for SKN7 response regulator in stress resistance, conidiation and virulence in the citrus pathogen Alternaria alternata	Fungal genetics and biology : FG & B
22591226	20120901	The stress-activated protein kinase FgOS-2 is a key regulator in the life cycle of the cereal pathogen Fusarium graminearum	Molecular plant-microbe interactions : MPMI
22713714	20120801	FgVELB is associated with vegetative differentiation, secondary metabolism and virulence in Fusarium graminearum	Fungal genetics and biology : FG & B
22349956	20120501	The group III two-component histidine kinase AlHK1 is involved in fungicides resistance, osmosensitivity, spore production and impacts negatively pathogenicity in Alternaria longipes	Current microbiology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	116
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.073499291
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6