4,5-Dichloro-2-nitrobenzenamine

C₆H₄Cl₂N₂O₂CAS 6641-64-1207.01 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄Cl₂N₂O₂
Molar mass: 207.01 g/mol
Exact mass: 205.9650 Da
Melting point: 164–166 °C
logP: 2.48Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed83.7% of notifiers
H302 Harmful if swallowed16.3% of notifiers
H310 Fatal in contact with skin83.7% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation16.3% of notifiers
H319 Causes serious eye irritation16.3% of notifiers
H330 Fatal if inhaled83.7% of notifiers
H332 Harmful if inhaled16.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure83.7% of notifiers
H411 Toxic to aquatic life with long lasting effects81.6% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

6641-64-1

SMILES

Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-]

InChIKey

FSGTULQLEVAYRS-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2

Weigh it out

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

Names and synonyms

7 names

Benzenamine, 4,5-dichloro-2-nitro-
Aniline, 4,5-dichloro-2-nitro-
4,5-Dichloro-2-nitroaniline
2-Nitro-4,5-dichloroaniline
3,4-Dichloro-6-nitroaniline
1-Amino-4,5-dichloro-2-nitrobenzene
NSC 17012

Work with 4,5-Dichloro-2-nitrobenzenamine

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-Chloro-5-nitro-1,4-benzenediamine26196-45-283 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-577 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-673 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-673 % similar 5-Chloro-2-nitro-4-(trifluoromethyl)aniline35375-74-767 % similar 2,4,5-Trichloronitrobenzene89-69-066 % similar 6-Chloro-4-nitro-o-toluidine13852-51-263 % similar 2-Amino-4-chloro-5-nitrophenol6358-07-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Aminopyralid150114-71-9 2,4-Dichloro-6-nitroaniline2683-43-4 Methyl 3,6-dichloropyridazine-4-carboxylate286946-24-5 Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-6 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-9 2,6-Dichloro-3-methyl-5-nitropyridine58596-88-6 2,6-Dichloro-4-methyl-3-nitropyridine60010-03-9 2,4-Dichloro-6-methyl-3-nitropyridine63897-12-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook