3,5-Dichloro-1,4-dihydropyridazin-4-imine

C₄H₃Cl₂N₃CAS 53180-76-0163.99 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₃Cl₂N₃
Molar mass: 163.99 g/mol
Exact mass: 162.9704 Da
logP: 1.37Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

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

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53180-76-0

SMILES

C1=C(C(=C(N=N1)Cl)N)Cl

InChIKey

RPFJGTZUJUOCCL-UHFFFAOYSA-N

InChI

InChI=1S/C4H3Cl2N3/c5-2-1-8-9-4(6)3(2)7/h1H,(H2,7,8)

Weigh it out

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

Names and synonyms

1 names

3,5-Dichloropyridazin-4-amine

Work with 3,5-Dichloro-1,4-dihydropyridazin-4-imine

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

3,4,5-Trichloropyridazine14161-11-656 % similar 2,4-Dichloropyridin-3-amine173772-63-947 % similar 5-Chloropyridine-3,4-diamine929074-42-043 % similar 3,4-Dichloropyridazine1677-80-141 % similar 4,5-Dichloro-3(2H)-pyridazinone932-22-938 % similar 5-Amino-2,3-dichloropyridine98121-41-638 % similar 2,6-Dichloroaniline608-31-137 % similar 2,3,5,6-Tetrachloroaniline3481-20-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloro-4-pyrimidinamine10132-07-7 5,6-Dichloropyrimidin-4-amine310400-38-5 4,5-Dichloropyrimidin-2-amine403854-21-7 2,4-Dichloro-5-aminopyrimidine5177-27-5 5-Amino-4,6-dichloropyrimidine5413-85-4 4,6-Dichloro-2-pyrimidinamine56-05-3 3,6-Dichloropyridazin-4-amine823-58-5 2-Amino-3,5-dichloropyrazine873-42-7

Elsewhere

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