1-methyl-1H-imidazole hydrochloride

• ChemBase ID: 142080
• Molecular Formular: C4H7ClN2
• Molecular Mass: 118.56478
• Monoisotopic Mass: 118.02977591
• SMILES: Cn1ccnc1.Cl
• Canonical SMILES: Cn1cncc1.Cl
• InChI: InChI=1S/C4H6N2.ClH/c1-6-3-2-5-4-6;/h2-4H,1H3;1H
• InChIKey: STCBHSHARMAIOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-imidazole hydrochloride
• IUPAC Traditional name: 1-methylimidazole hydrochloride
• Synonyms: Basionics® AC 75; 1-Methylimidazole hydrochloride; 1-Methylimidazolium chloride; 1-甲基咪唑盐酸盐; 1-甲基氯化咪唑鎓

Database IDs

• CAS Number: 35487-17-3
• MDL Number: MFCD06798176
• PubChem SID: 24865270; 162236311
• PubChem CID: 12196634

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.4576601
• LogD (pH = 7.4): 0.0057640853
• Log P: 0.07845186
• Molar Refractivity: 23.9095 cm^3
• Polarizability: 8.900744 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 118 °C; 244.4 °F

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥94.5% (HPLC); 95%
• Grade: BASF quality
• Impurities: ≤1% water
• Empirical Formula (Hill Notation): C4H6N2 · HCl

DETAILS

Sigma Aldrich - 40477

General description
produced by Sigma-Aldrich, production and use of trademark licensed from BASF
Packaging
1 kg in glass bottle
100 g in glass bottle
Application
Basionic Ionic Liquids
Legal Information
Basionics is a registered trademark of BASF SE