3,5-Dichloroaniline

C₆H₅Cl₂NCAS 626-43-7162.01 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅Cl₂N
Molar mass: 162.01 g/mol
Exact mass: 160.9799 Da
Density: 1.58 g/mL
Melting point: 51–53 °C
Boiling point: 260 °C (at 741 Torr)
logP: 2.58Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed99.3% of notifiers
H311 Toxic in contact with skin99.3% of notifiers
H331 Toxic if inhaled99.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure98% of notifiers
H400 Very toxic to aquatic life96.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects98% of notifiers

Aggregated from 147 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

626-43-7

SMILES

Nc1cc(Cl)cc(Cl)c1

InChIKey

UQRLKWGPEVNVHT-UHFFFAOYSA-N

InChI

InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

6 names

Benzenamine, 3,5-dichloro-
Aniline, 3,5-dichloro-
3,5-Dichlorobenzenamine
3,5-Dichlorophenylamine
3,5-Dichlorolaniline
3,5-DCA

Work with 3,5-Dichloroaniline

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

3,5-Diaminochlorobenzene33786-89-988 % similar 3-Chloro-5-methylbenzenamine29027-20-164 % similar 3-Chloro-5-fluorobenzenamine4863-91-664 % similar 3-Bromo-5-chlorophenylamine96558-78-064 % similar 1,3,5-Trichlorobenzene108-70-360 % similar 3-Chloroaniline108-42-957 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-856 % similar 5-Chloro-3-pyridinamine22353-34-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-(chloromethyl)pyridine10177-24-9 2-Chloro-4-(chloromethyl)pyridine101990-73-2 2,4-Dichloro-3-methylpyridine132097-09-7 2,6-Dichloro-4-methylpyridine39621-00-6 2,4-Dichloro-6-methylpyridine42779-56-6 2,4-Dichloroaniline554-00-7 2,4-Dichloro-5-methylpyridine56961-78-5 2,6-Dichloro-3-methylpyridine58584-94-4

Elsewhere

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