1,3-Dichloro-2-methyl-4-nitrobenzene

C₇H₅Cl₂NO₂CAS 29682-46-0206.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅Cl₂NO₂
Molar mass: 206.02 g/mol
Exact mass: 204.9697 Da
logP: 3.21Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled83.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

29682-46-0

SMILES

Cc1c(Cl)ccc([N+](=O)[O-])c1Cl

InChIKey

WBNZUUIFTPNYRN-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,3-dichloro-2-methyl-4-nitro-
Toluene, 2,6-dichloro-3-nitro-
2,6-Dichloro-3-nitrotoluene
NSC 102503

Work with 1,3-Dichloro-2-methyl-4-nitrobenzene

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

2,3,4-Trichloronitrobenzene17700-09-369 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-165 % similar 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-361 % similar 2,3-Dichloronitrobenzene3209-22-159 % similar 2,6-Dichloro-3-nitrobenzaldehyde5866-97-758 % similar 2,6-Dichloro-3-nitrobenzonitrile5866-98-856 % similar 2-Chloro-1,3-dinitrobenzene606-21-356 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-methoxyisonicotinoyl chloride116853-97-5 Chloramben133-90-4 2-Amino-4,5-dichlorobenzoic acid20776-61-8 4,6-Dichloroanthranilic acid20776-63-0 3,5-Dichloroanthranilic acid2789-92-6 3,6-Dichloroanthranilic acid3032-32-4 Methyl 2,6-dichloroisonicotinate42521-09-5 4-Amino-3,5-dichlorobenzoic acid56961-25-2

Elsewhere

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