Results for:
PubChem ID: 8027

1H-pyrrole

Mass-Spectra

Compound Details

Synonymous names
PYRROLE
1H-Pyrrole
109-97-7
Divinylenimine
Azole
Imidole
Pyrrol
Monopyrrole
Divinyleneimine
1-Aza-2,4-cyclopentadiene
30604-81-0
FEMA No. 3386
Pyrrole-15N
NSC 62777
CCRIS 2933
HSDB 119
CHEBI:19203
EINECS 203-724-7
UNII-86S1ZD6L2C
NSC-62777
(1H-Pyrrole)x
PYROLLE
86S1ZD6L2C
DTXSID5021910
AI3-18817
DTXCID201910
MFCD00005216
26120-22-9
Pyrroles
C4H5N
Pyrrhol
Pyrole
beta-pyrrole
a pyrrole
pyrrole-
Pyrrole, Reagent
1-H-pyrrole
Pyrrole1539
1-aza-cyclopentadiene
PYRROLE [FHFI]
PYRROLE [HSDB]
PYRROLE [FCC]
1H-PYRROLE [MI]
Epitope ID:136031
WLN: T5MJ
Pyrrole, analytical standard
CHEMBL16225
Pyrrole, reagent grade, 98%
QSPL 001
CHEBI:35556
FEMA 3386
Pyrrole, >=98%, FCC, FG
AMY40221
NSC62777
NSC72470
STR00296
Tox21_303910
BBL011520
NSC-72470
STL146636
AKOS000120094
MCULE-7417495535
NCGC00357161-01
BP-21154
CAS-109-97-7
conductivity 10-50S/cm (pressed pellet)
1H-Pyrrole; Azole; Divinylenimine; Imidole
DB-003771
NS00014390
P0574
EN300-20590
C19907
A802120
InChI=1/C4H5N/c1-2-4-5-3-1/h1-5
Q242627
Q-100054
F2190-0643
Z104479036
Polypyrrole (undoped, extent of labeling: ~20 wt. % loading, composite with carbon black)
107760-17-8
Microorganism:

Yes

IUPAC name1H-pyrrole
SMILESC1=CNC=C1
InchiInChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
FormulaC4H5N
PubChem ID8027
Molweight67.09
LogP0.7
Atoms5
Bonds0
H-bond Acceptor0
H-bond Donor1
Chemical Classificationaromatic compounds nitrogen compounds heterocyclic compounds
CHEBI-ID19203
Supernatural-IDSN0180122

mVOC Specific Details

Boiling Point
DegreeReference
129.7 deg CLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-304
Volatilization
The Henry's Law constant for pyrrole is 1.8X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that pyrrole is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 42 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 368 hours(SRC). Pyrrole's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of pyrrole from dry soil surfaces may exist(SRC) based upon a vapor pressure of 8.35 mm Hg(3).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 922-7 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY,NY: Hemisphere Pub Corp 5 Vol (1987)
Soil Adsorption
The Koc of pyrrole is estimated as approximately 61(SRC), using a log Kow of 0.75(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pyrrole is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, And Steric Constants. ACS Prof Ref Book. Washington,DC: Amer Chem Soc p. 8 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
8.35 mm Hg @ 25 dec CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAKaeslin et al. 2021
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNALawal et al. 2018
ProkaryotaPseudomonas AeruginosaLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaLysobacter Capsiciantifungal activity against the growth of Pythium ultimum, Rhizoctonia solani and Sclerotinia minorNAVlassi et al. 2020
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
ProkaryotaSerratia Plymuthicanamaize rhizosphere, NetherlandsGarbeva et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaBHISESI-MSno
ProkaryotaEnterococcus FaecalisTYESIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaPseudomonas AeruginosaLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
ProkaryotaPseudomonas AeruginosaTSB mediaHS-SPME/GC-MSno
ProkaryotaLysobacter CapsiciNA-mediaGC-MSno
ProkaryotaCollimonas FungivoransHeadspace trapping/GC-MSno
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno