4-Chloro-1-methoxy-2-nitrobenzene

C₇H₆ClNO₃CAS 89-21-4187.58 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₇H₆ClNO₃
Molar mass: 187.58 g/mol
Exact mass: 187.0036 Da
Melting point: 96 °C
logP: 2.26Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed86.4% of notifiers
H315 Causes skin irritation13.6% of notifiers
H319 Causes serious eye irritation13.6% of notifiers
H335 May cause respiratory irritation11.4% of notifiers

Aggregated from 44 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

89-21-4

SMILES

COc1ccc(Cl)cc1[N+](=O)[O-]

InChIKey

OSAYFGJUEOYRHY-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names

Benzene, 4-chloro-1-methoxy-2-nitro-
Anisole, 4-chloro-2-nitro-
4-Chloro-2-nitroanisole
NSC 8445
2-Nitro-4-chloroanisole
5-Chloro-2-methoxynitrobenzene

Work with 4-Chloro-1-methoxy-2-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

4-Chloro-2-methoxy-1-nitrobenzene6627-53-877 % similar 2,4-Dinitroanisole119-27-767 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-467 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-865 % similar 4-Fluoro-2-nitroanisole445-83-065 % similar 4-Methoxy-3-nitrophenol15174-02-463 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-363 % similar 4-Methoxy-3-nitrobenzenamine577-72-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-methoxy-4-nitrobenzene1009-36-5 1-Chloro-4-methoxy-2-nitrobenzene10298-80-3 2-Chloro-6-methoxypyridine-4-carboxylic acid15855-06-8 4-Chloro-2-nitrobenzenemethanol22996-18-5 2-(Chloromethyl)-4-nitrophenol2973-19-5 2-Chloro-6-methyl-3-nitrophenol39183-20-5 2-Chloro-1-methoxy-4-nitrobenzene4920-79-0 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-1

Elsewhere

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