1-Methylpyrrol
1-Methylpyrrole
Grundinformationen
- CAS
27417-39-6- Standard-SMILES
Cn1cccc1- InChIKey
OXHNLMTVIGZXSG-UHFFFAOYSA-N- Summenformel
- C5H7N
- Durchschnittliche Molmasse
- 81,12 g/mol
- Monoisotopische Masse
- 81,05784923
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-methylpyrrolMFCD000053451257247-93-0MR31-Methyl-1H-pyrrole; 1-Methylpyrrole; NSC 65440;
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
- Formalladung
- 0
- Komplexität
- 37,2
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyrroles
SpringerMaterials PropertiesSchoenflies notation
LogP
1.21
1.15
Density0.9145 @ 15°C
Flash Point16 °C
Boiling Point
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]
Melting Point-57.00 °C. @ 760.00 mm Hg
Vapor Pressure
21.4 [mmHg]
15 [mm Hg] @20.2 °C
Physical DescriptionColorless liquid; [Hawley] Bright yellow liquid; [Ullmann]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
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
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)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Toxikologische Informationen
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesUsed in organic synthesis; [Hawley]
General Manufacturing Information1H-Pyrrole, 1-methyl-: ACTIVE
Anwendungen
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.
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