2,6-Dichloro-3-nitrobenzaldehyde

C7H3Cl2NO3CAS 5866-97-7220.00 g/mol

Open in Covalent MOL file
N+OO−ClOCl
AldehydeAryl halideNitro

Properties

Molecular formula
C7H3Cl2NO3
Molar mass
220.00 g/mol
Exact mass
218.9490 Da
logP
2.71Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number
5866-97-7
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])Cl)C=O)Cl
InChIKey
CQOQHGBSJIWOCA-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2NO3/c8-5-1-2-6(10(12)13)7(9)4(5)3-11/h1-3H

Weigh it out

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

Work with 2,6-Dichloro-3-nitrobenzaldehyde

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-6-nitrobenzaldehyde6361-22-467 % similar 2,3,4-Trichloronitrobenzene17700-09-365 % similar 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-058 % similar 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-358 % similar 2,3,6-Trichlorobenzaldehyde4659-47-658 % similar 4-Chloro-3-nitrobenzaldehyde16588-34-456 % similar 2,3-Dichloronitrobenzene3209-22-156 % similar 2,6-Dichloro-3-nitrobenzonitrile5866-98-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-nitrobenzoyl chloride25784-91-2 4-Chloro-3-nitrobenzoyl chloride38818-50-7 2-Chloro-4-nitrobenzoyl chloride7073-36-1

Elsewhere

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