2,3,4-Trichloronitrobenzene

C₆H₂Cl₃NO₂CAS 17700-09-3226.44 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂Cl₃NO₂
Molar mass: 226.44 g/mol
Exact mass: 224.9151 Da
Melting point: 55–56 °C
Water solubility: < 1 g/L (22.8 °C)
logP: 3.56Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed54.3% of notifiers
H312 Harmful in contact with skin53.1% of notifiers
H315 Causes skin irritation53.1% of notifiers
H319 Causes serious eye irritation53.1% of notifiers
H332 Harmful if inhaled53.1% of notifiers
H335 May cause respiratory irritation53.1% of notifiers

Aggregated from 81 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

17700-09-3

SMILES

O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl

InChIKey

BGKIECJVXXHLDP-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,2,3-trichloro-4-nitro-
1,2,3-Trichloro-4-nitrobenzene
2,3,4-Trichloro-1-nitrobenzene
NSC 91490

Work with 2,3,4-Trichloronitrobenzene

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-Dichloronitrobenzene3209-22-172 % similar 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-069 % similar 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-369 % similar 1,2,3,4-Tetrachloro-5-nitrobenzene879-39-067 % similar 2,6-Dichloro-3-nitrobenzaldehyde5866-97-765 % similar 2-Chloro-1,3-dinitrobenzene606-21-364 % similar 2,3-Dichloro-6-nitrobenzonitrile2112-22-363 % similar 2,6-Dichloro-3-nitrobenzonitrile5866-98-863 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trichloronitrobenzene18708-70-8 1,2,3-Trichloro-5-nitrobenzene20098-48-0 2,3,5-Trichloropyridine-4-carboxylic acid406676-18-4 2,4,5-Trichloronitrobenzene89-69-0

Elsewhere

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