2,6-Dichloro-4-nitroaniline

C₆H₄Cl₂N₂O₂CAS 99-30-9207.01 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: 191 °C
Boiling point: 130 °C (at 2 Torr)
pKa: 3.31
Water solubility: 6.3 mg/L (20 °C)
logP: 2.48Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled34.6% of notifiers
H300 Fatal if swallowed86.4% of notifiers
H310 Fatal in contact with skin86.4% of notifiers
H330 Fatal if inhaled86.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure86.4% of notifiers
H411 Toxic to aquatic life with long lasting effects86.4% of notifiers

Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

99-30-9

SMILES

Nc1c(Cl)cc([N+](=O)[O-])cc1Cl

InChIKey

BIXZHMJUSMUDOQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

24 names · show all

Benzenamine, 2,6-dichloro-4-nitro-
Aniline, 2,6-dichloro-4-nitro-
2,6-Dichloro-4-nitrobenzenamine
AL 50
U-2069
Botran
DCNA (fungicide)
Ditranil
Allisan
Bortran
Dicloran
1-Amino-2,6-dichloro-4-nitrobenzene
Dichloran
CNA
Dichloran (amine fungicide)
DCNA
4-Nitro-2,6-dichloroaniline
Botran 75W
Resisan
2,6-Dichloro-p-nitroaniline
Batran
Botran 75B
NSC 218
2,6-Dichloro-4-nitro-phenylamine

Work with 2,6-Dichloro-4-nitroaniline

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

6-Chloro-2,4-dinitroaniline3531-19-980 % similar 2-Bromo-6-chloro-4-nitroaniline99-29-677 % similar 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-675 % similar 2-Amino-3-chloro-5-nitrobenzonitrile20352-84-569 % similar 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine400-67-969 % similar 1,2,3-Trichloro-5-nitrobenzene20098-48-066 % similar 1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-561 % similar 2,6-Dichloro-4-nitrophenol618-80-461 % 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

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