1-Methylpyrrol

1-Methylpyrrole

HCID 7304CAS 27417-39-6
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Grundinformationen

Standard-SMILES
Cn1cccc1
InChIKey
OXHNLMTVIGZXSG-UHFFFAOYSA-N
Summenformel
C5H7N
Durchschnittliche Molmasse
81,12 g/mol
Monoisotopische Masse
81,05784922

Überblick

1-Methylpyrrole is a member of pyrroles.

Namen und Bezeichner

Bevorzugter Name
1-Methylpyrrole
IUPAC
1-methylpyrrole
Lokaler Name
1-Methylpyrrol
Englischer Name
1-Methylpyrrole
Summenformel
C5H7N
Molmasse
81.12

Namen und Synonyme

1-Methylpyrrole1-Methyl-1H-pyrroleN-METHYLPYRROLE96-54-81H-Pyrrole, 1-methyl-Pyrrole, 1-methyl-DTXSID3052648NG5GPN98ZGNSC-65440DTXCID4031221RefChem:76411202-513-7
Weitere Namen anzeigen
1H-pyrrole,1-methyl-1-methyl-pyrrolpyrrole,1-methyl-
N-Methyl pyrroleMethylpyrroleN-Methylpyrrol1-methylpyrrolMFCD000053451257247-93-0CCRIS 2934EINECS 202-513-7

Datenbank-Bezeichner

CAS
27417-39-6、96-54-8
PubChem CID
7304
DTXSID
DTXSID3052648
ChEMBL
CHEMBL1234459
ChEBI
CHEBI:89012
UNII
NG5GPN98ZG
EC Number
202-513-7
Nikkaji
J2.431.884B、J40.162E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
4,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyrroles
SpringerMaterials PropertiesSchoenflies notation
LogP · 2 Einträge

1.21

1.15

Density0.9145 @ 15°C
Flash Point16 °C
Boiling Point · 3 Einträge

The Guide in the Emergency Response Guidebook is for "Flammable liquid, n.o.s." 112-113 °C

112.00 to 113.00 °C. @ 760.00 mm Hg

112.81 °C @760 [mm Hg]

Physikochemische Eigenschaften

Schmelzpunkt
-57 °C · -57 °C (lit.)
Siedepunkt
112 · 112-113 °C (lit.)
Dichte
0.914 g/mL · 0.914 g/mL at 25 °C (lit.)
Dampfdichte
2.8 · 2.8 (vs air)
Dampfdruck
15 mm · 15 mm Hg ( 20.2 °C)
Brechungsindex
20 · n20/D 1.489

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (89.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1523 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1H-Pyrrole, 1-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Methylpyrrole: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Flammable liquid; [Hawley] A skin irritant; [eChemPortal: ERMA] An irritant; [MSDSonline] Harmful if swallowed; LD50 (rats) = 1400 mg/kg; Rats inhaling saturated concentration at room temperature die after 1 hour; Severe mucosal irritation and narcosis were observed; [Ullmann]

Hazard Classes and CategoriesAcute Tox. 4 (89.9%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (rat) = >5.6 mg/l/4H;

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 2
hs_code
29339990
RTECS-Nr.
UX9640000
risk_code
11-36/37/38-37/38-22

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

UsesUsed in organic synthesis; [Hawley]
General Manufacturing Information1H-Pyrrole, 1-methyl-: ACTIVE
Anwendungen · 2 Einträge

Beschreibung1-Methylpyrrole is a fundamental structural unit employed in synthesis, belonging to the class of pyrrole compounds. It can be used as a monomer for preparing thin-film polymers and is utilised in electrochemical research. It also participates in photoaddition and substitution reactions, and is used to prepare hybrid compounds such as 1-methyl-2-(1,2-diphenylethyl)pyrrole.

VerwendenOrganic synthesis.

Vor- und nachgelagerte Produkte

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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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