2,3-Dichlorobenzylamine

C7H7Cl2NCAS 39226-95-4176.04 g/mol

Open in Covalent MOL file
ClClNH2
Aryl halidePrimary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

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