4,5-Dichloroimidazole

C₃H₂Cl₂N₂CAS 15965-30-7136.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₂Cl₂N₂
Molar mass: 136.96 g/mol
Exact mass: 135.9595 Da
logP: 1.72Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

15965-30-7

SMILES

C1=NC(=C(N1)Cl)Cl

InChIKey

QAJJXHRQPLATMK-UHFFFAOYSA-N

InChI

InChI=1S/C3H2Cl2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)

Weigh it out

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Work with 4,5-Dichloroimidazole

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-Chloro-7H-pyrrolo[2,3-d]pyrimidine3680-69-148 % similar 6-Chloropurine87-42-346 % similar 6-Chloro-4,5-pyrimidinediamine4316-98-743 % similar 4,6-Dichloroimidazo[4,5-C]pyridine2589-12-042 % similar 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-139 % similar 6-Chloro-5-methoxy-4-pyrimidinamine5018-41-739 % similar 5,6-Dichlorobenzimidazole6478-73-538 % similar 6-Chloro-2-fluoropurine1651-29-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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