2,3-Dichlorobenzylamine

C₇H₇Cl₂NCAS 39226-95-4176.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₇Cl₂N
Molar mass: 176.04 g/mol
Exact mass: 174.9956 Da
logP: 2.45Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

39226-95-4

SMILES

C1=CC(=C(C(=C1)Cl)Cl)CN

InChIKey

JHBVZGONNIVXFJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2

Weigh it out

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

Work with 2,3-Dichlorobenzylamine

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-Chlorobenzylamine89-97-468 % similar 2,3-Dichlorobenzyl chloride3290-01-559 % similar 3-Chloro-2-fluorobenzenemethanamine72235-55-359 % similar 2,3-Dichlorobenzyl bromide57915-78-357 % similar 2-Chloro-3-(trifluoromethyl)benzylamine39226-96-553 % similar 1,2,3-Trichlorobenzene87-61-652 % similar 2,3-Dichlorophenylacetonitrile3218-45-952 % similar 2,4-Dichlorobenzenemethanamine95-00-150 % similar

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

Same formula

3,4-Dichlorobenzenemethanamine102-49-8 2,5-Dichlorobenzylamine10541-69-2 2,4-Dichloro-6-methylaniline30273-00-8 2,6-Bis(chloromethyl)pyridine3099-28-3 3,5-Dichlorobenzylamine39989-43-0 3,4-Dichloro-N-methylaniline40750-59-2 2,6-Dichloro-3-methylaniline64063-37-2 2,6-Dichlorobenzylamine6575-27-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook