3-Chloropyridazine

C₄H₃ClN₂CAS 1120-95-2114.53 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₃ClN₂
Molar mass: 114.53 g/mol
Exact mass: 113.9985 Da
logP: 1.13Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

1120-95-2

SMILES

C1=CC(=NN=C1)Cl

InChIKey

IBWYHNOFSKJKKY-UHFFFAOYSA-N

InChI

InChI=1S/C4H3ClN2/c5-4-2-1-3-6-7-4/h1-3H

Weigh it out

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

Work with 3-Chloropyridazine

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

3,6-Dichloropyridazine141-30-050 % similar 2,6-Dichloropyridine2402-78-048 % similar 2-Chloropyridine109-09-146 % similar 3-Methylpyridazine1632-76-444 % similar 3(2H)-Pyridazinone504-30-344 % similar 3-Bromopyridazine88491-61-644 % similar 3-Methoxypyridazine19064-65-439 % similar Pyridazin-3-ylmethanol37444-46-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chloropyrazine14508-49-7 5-Chloropyrimidine17180-94-8 2-Chloropyrimidine1722-12-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook