5-Chloro-1H-imidazole

C3H3ClN2CAS 15965-31-8102.52 g/mol

Open in Covalent MOL file
ClNHN
Aryl halide

Properties

Molecular formula
C3H3ClN2
Molar mass
102.52 g/mol
Exact mass
101.9985 Da
Melting point
120–121 °C
logP
1.06Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
15965-31-8
SMILES
Clc1cnc[nH]1
InChIKey
BQRBAXFOPZRMCU-UHFFFAOYSA-N
InChI
InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1H-Imidazole, 5-chloro-
  • Imidazole, 4-chloro-
  • 1H-Imidazole, 4-chloro-
  • 5-Chloroimidazole
  • 4-Chloroimidazole
  • NSC 222413
  • 4-Chloro-1H-imidazole

Work with 5-Chloro-1H-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromoimidazole2302-25-242 % similar 4-Fluoroimidazole30086-17-042 % similar 4-Iodo-1H-imidazole71759-89-242 % similar 4-Methylimidazole822-36-642 % similar 4-Chlorosulfonylimidazole58767-51-438 % similar Imidazole-4-carboxaldehyde3034-50-237 % similar 4(5)-(Trifluoromethyl)imidazole33468-69-837 % similar 4-Imidazolemethanol822-55-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-1H-pyrazole14339-33-4 4-Chloropyrazole15878-00-9 2-Chloro-1H-imidazole16265-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook