8.20832

1-Methylpyrrole

for synthesis

• Synonym(e): 1-Methylpyrrole, N-Methylpyrrole
• Empirische Formel (Hill-System): C₅H₇N
• CAS-Nummer: 96-54-8
• Molekulargewicht: 81.12
• UNSPSC Code: 12352005
• EC Index Number: 202-513-7
• NACRES: NA.22
• MDL number: MFCD00005345

Eigenschaften

• Quality Level: 200
• assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 400 °C
• potency: 1400 mg/kg LD₅₀, oral (Rat), >400 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.4-8.5 % (v/v)
• pH: 10.4 (10 °C, 10 g/L in H₂O)
• bp: 111-113 °C/1013 hPa
• mp: -57 °C
• transition temp: flash point 16 °C
• solubility: 13 g/L
• density: 0.91 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: [n]1(cccc1)C
• InChI: 1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
• InChI key: OXHNLMTVIGZXSG-UHFFFAOYSA-N

Beschreibung

Application

• Systematic Assessment of the Catalytic Reactivity of Frustrated Lewis Pairs in CH Bond Activation: The article explores the FLP-catalyzed CH bond activation of 1-methylpyrrole, evaluating its catalytic performance (Y Guo, et al., 2023).
• Design of a Mesoionic Janus-type Dicarbene: Research on 1-methylpyrrole with 4-bromoacetophenone for potential applications in synthetic chemistry (JN Leung, HV Huynh, 2024).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)

Density (d 20 °C/ 4 °C): 0.905 - 0.914

Identity (IR): passes test

Sicherheitshinweise

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225 - H302 - H315
• pcodes: P210 - P233 - P240 - P241 - P301 + P312 - P303 + P361 + P353
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 2 - Skin Irrit. 2
• Lagerklasse: 3 - Flammable liquids
• wgk: WGK 3
• flash_point_f: 60.8 °F
• flash_point_c: 16 °C