1,2-dimethyl-1H-imidazole

• ChemBase ID: 103209
• Molecular Formular: C5H8N2
• Molecular Mass: 96.13042
• Monoisotopic Mass: 96.06874827
• SMILES: Cn1ccnc1C
• Canonical SMILES: Cn1ccnc1C
• InChI: InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3
• InChIKey: GIWQSPITLQVMSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethyl-1H-imidazole
• IUPAC Traditional name: 1H-imidazole, 1,2-dimethyl-
• Synonyms: 1,2-DIMETHYL IMIDAZOLE; 1,2-dimethyl-1H-imidazole; 1,2-Dimethylimidazole; 1,2-DIMETHYLIMIDAZOLE; 1,2-二甲基咪唑

Database IDs

• CAS Number: 1739-84-0
• EC Number: 217-101-2
• MDL Number: MFCD00005294
• Beilstein Number: 108457
• PubChem SID: 162091292; 24848259
• PubChem CID: 15617

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.8147935
• LogD (pH = 7.4): -0.05449615
• Log P: 0.20151658
• Molar Refractivity: 28.3502 cm^3
• Polarizability: 10.663958 Å^3
• Polar Surface Area: 17.82 Å^2

PROPERTIES

Physical Property

• Melting Point: 35-38°C; 37-39 °C(lit.)
• Boiling Point: 203-205°C; 204 °C(lit.)
• Flash Point: 197.6 °F; 92 °C; 92°C(197°F)
• Auto Ignition Point: 896 °F
• Density: 1.084; 1.084 g/mL at 25 °C(lit.)
• Vapor Pressure: 1 mmHg ( 20 °C)

Safety Information

• Storage Condition: 2-8°C
• RTECS: NI4838854
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 3263
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-38-41; R:22-38-41
• Safety Statements: 24-26; S:24-26
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318; H318-H315-H302
• GHS Precautionary statements: P280-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P310-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3263 8/PG 2

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H8N2

DETAILS

MP Biomedicals - 05223400

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150941

Crystalline
Purity: 98%
Used as a buffer.

Sigma Aldrich - 136131

General description
Buffer.
Packaging
5, 100, 500 g in glass bottle

REFERENCES

• Biochemistry, 12: 5127 (1973).
• Buffer: Biochemistry, 12, 5127 (1973).