chempirical

Imidazole

C3H4N2CAS 288-32-468.08 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C3H4N2
Molar mass
68.08 g/mol
Exact mass
68.0374 Da
Density
1.036 g/mL (at 95 °C)
Melting point
90.5 °C
Boiling point
257 °C
pKa
6.92 (weak base, 25 °C), 14.9
Flash point
145 °C (closed cup)
Water solubility
2,410 g/L (20 °C)
logP
0.41Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 613-319-00-0), via PubChem.

Precautionary statements

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, P501

Identifiers

CAS number
288-32-4
SMILES
c1c[nH]cn1
InChIKey
RAXXELZNTBOGNW-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)

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Names and synonyms

12 names
  • 1H-Imidazole
  • 1,3-Diaza-2,4-cyclopentadiene
  • 1,3-Diazole
  • Glyoxalin
  • Glyoxaline
  • Imidazol
  • Imutex
  • Miazole
  • Methanimidamide, N,N′-1,2-ethenediyl-
  • NSC 60522
  • 3-Azapyrrole
  • Curezol SIZ

Reactions

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 288-32-4. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Imidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Imidazolium chloride1467-16-9Salt

Same formula

2-(Methyleneamino)acetonitrile109-82-0 Pyrazole288-13-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia