2-Chloro-1-methyl-1H-imidazole

C₄H₅ClN₂CAS 253453-91-7116.55 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₅ClN₂
Molar mass: 116.55 g/mol
Exact mass: 116.0141 Da
logP: 1.07Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage12.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 8 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

253453-91-7

SMILES

CN1C=CN=C1Cl

InChIKey

VSCQFRRKWFQPOA-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClN2/c1-7-3-2-6-4(7)5/h2-3H,1H3

Weigh it out

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

Work with 2-Chloro-1-methyl-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

1,1'-Dimethyl-1H,1'H-[2,2']biimidazolyl37570-94-854 % similar 1,2-Dimethylimidazole1739-84-050 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-748 % similar 2-Iodo-1-methyl-1H-imidazole37067-95-148 % similar Methimazole60-56-048 % similar 1-Methyl-1H-imidazol-2-amine6646-51-148 % similar 1-Methyl-2-imidazolecarboxaldehyde13750-81-743 % similar (1-Methyl-1H-imidazol-2-yl)methanol17334-08-643 % similar

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

Same formula

3-Chloro-5-methyl-1H-pyrazole15953-45-4 5-Chloro-1-methyl-1H-imidazole872-49-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook