Bis(4-amino-2,3-dichlorophenyl)methane

C₁₃H₁₀Cl₄N₂CAS 42240-73-3336.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₃H₁₀Cl₄N₂
Molar mass: 336.04 g/mol
Exact mass: 333.9598 Da
logP: 5.06Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

H413 May cause long lasting harmful effects to aquatic life100% of notifiers

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

Precautionary statements

P273, P501

Identifiers

CAS number

42240-73-3

SMILES

C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)N)Cl)Cl)Cl)Cl)N

InChIKey

PPUHQXZSLCCTAN-UHFFFAOYSA-N

InChI

InChI=1S/C13H10Cl4N2/c14-10-6(1-3-8(18)12(10)16)5-7-2-4-9(19)13(17)11(7)15/h1-4H,5,18-19H2

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Work with Bis(4-amino-2,3-dichlorophenyl)methane

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

2,3,4-Trichloroaniline634-67-354 % similar 4-Bromo-2,3-dichlorobenzenamine56978-48-450 % similar 2,3-Dichloroaniline608-27-543 % similar 2-Chloro-3-fluorobenzenamine21397-08-040 % similar 3-Amino-2-chloro-6-methylphenol84540-50-139 % similar 4,4′-Methylenebis[2-chloroaniline]101-14-439 % similar 2-Chloro-3-methoxyaniline113206-03-438 % similar 2-Chloro-3-(trifluoromethyl)aniline62476-58-836 % similar

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

Elsewhere

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