4-Methylindole , 98% , 16096-32-5

CAS NO.：16096-32-5

Empirical Formula: C9H9N

Molecular Weight: 131.17

MDL number: MFCD00005668

EINECS: 240-262-5

PRODUCT Properties

• Melting point: 5 °C
• Boiling point: 267 °C
• Density: 1.062 g/mL at 25 °C(lit.)
• refractive index: 1.606-1.608
• Flash point: >230°C
• storage temp.: Keep in dark place,Inert atmosphere,2-8°C
• pka: 17.36±0.30(Predicted)
• form: Liquid After Melting
• Specific Gravity: 1.062
• color: Clear yellow to brown
• Sensitive: Light Sensitive
• InChI: InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3
• InChIKey: PZOUSPYUWWUPPK-UHFFFAOYSA-N
• SMILES: N1C2=C(C(C)=CC=C2)C=C1
• LogP: 2.540
• CAS DataBase Reference: 16096-32-5(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole, 4-methyl-(16096-32-5)

Description and Uses

4-methylindole (4-MID), was selected as a potential liquid organic hydrogen carrier (LOHC) because of its theoretical hydrogen storage density of 5.76 wt%, a melting point of 5 °C and a boiling point of 267 °C [1]. 4-Methylindole serves as a lead activator of the aryl hydrocarbon receptor (AhR), facilitating investigations into its effect on AhR nuclear translocation in LS180 cells[2]. Hydrogenation of 4-methylindole yields octahydro-4-methylindole (8H-4-MID) after solvent distillation[1].

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 24/25-36-26-37/39
• RIDADR: 3334
• Hazard Note: Light Sensitive/Keep Cold
• HazardClass: IRRITANT, LIGHT SENSITIVE
• HS Code: 29339900