1,4-Dimethylimidazole

HCID 138733

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Basic information

CAS: 6338-45-0
Standard SMILES: Cc1cn(C)cn1
InChIKey: BLHTXORQJNCSII-UHFFFAOYSA-N
Molecular formula: C5H8N2
Average molar mass: 96.13 g/mol
Monoisotopic mass: 96.06874826

Names & identifiers

Preferred name: 1,4-Dimethylimidazole
IUPAC: 1,4-dimethylimidazole
English name: 1,4-Dimethylimidazole
Molecular formula: C5H8N2
Molecular weight: 96.13

Names & synonyms

1,4-Dimethylimidazole6338-45-01H-Imidazole, 1,4-dimethyl-UNII-5NF7MPO9DZ5NF7MPO9DZNSC-40745DTXSID20212784NSC 40745RefChem:73309DTXCID50135275BLHTXORQJNCSII-UHFFFAOYSA-N1,4-Dimethyl-1H-imidazole

Show more names

N,4-Dimethylimidazole4-diMethyl-1H-iMidazole

MFCD02660800NSC40745SCHEMBL126101,4-Dimethyl-1H-imidazoleESCHEMBL305054SCHEMBL349048SCHEMBL360382SCHEMBL2972223

Database identifiers

CAS: 6338-45-0
PubChem CID: 138733
DTXSID: DTXSID20212784
UNII: 5NF7MPO9DZ
EC Number: 834-723-5
Nikkaji: J432.983J

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 63.1

Physicochemical properties

Melting point: 25.8 °C · 25.8°C
Boiling point: 199.05 °C · 199.05°C
Density: 0.996 · 0.9960
refractive index: 1.5 · 1.5000 (estimate)
storage temp.: 2 · 2-8°C
pka: 7.51 · 7.51±0.61(Predicted)
FDA UNII: 5 NF7MPO9DZ · 5NF7MPO9DZ
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.