4,5-Dichloro-2-nitrotoluene

C₇H₅Cl₂NO₂CAS 7494-45-3206.02 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 swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7494-45-3

SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl

InChIKey

AOTWCYSQDSKAQT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1,2-Dichloro-4-methyl-5-nitrobenzene

Work with 4,5-Dichloro-2-nitrotoluene

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

5-Chloro-2,4-dinitrotoluene51676-74-583 % similar 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-673 % similar 2,4,5-Trichloronitrobenzene89-69-066 % similar 4-Chloro-1-methyl-2-nitrobenzene89-59-864 % similar 4-Chloro-5-methyl-2-nitrophenol7147-89-963 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-259 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-358 % similar 6-Chloro-4-nitro-o-toluidine13852-51-258 % 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 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-0 3,6-Dichloroanthranilic acid3032-32-4 Methyl 2,6-dichloroisonicotinate42521-09-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook