1-Chloro-4-methoxy-2-nitrobenzene

C₇H₆ClNO₃CAS 10298-80-3187.58 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: 52.5–53.5 °C
Boiling point: 210 °C (at 15 Torr)
logP: 2.26Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

10298-80-3

SMILES

COc1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

HISHUMDTGXICEZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzene, 1-chloro-4-methoxy-2-nitro-
Anisole, 4-chloro-3-nitro-
4-Chloro-3-nitroanisole
2-Nitro-4-methoxychlorobenzene
NSC 47339

Work with 1-Chloro-4-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

1,4-Dimethoxy-2-nitrobenzene89-39-467 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-565 % similar 4-Methoxy-2-nitroaniline96-96-865 % similar 4-Methoxy-2-nitrophenol1568-70-363 % similar 1-Bromo-4-methoxy-2-nitrobenzene5344-78-563 % similar 4-Iodo-3-nitroanisole58755-70-763 % similar 4-Fluoro-3-nitroanisole61324-93-463 % similar 5-Methoxy-2-nitrobenzenamine16133-49-662 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Chloro-2-methoxy-4-nitrobenzene1009-36-5 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 4-Chloro-3-nitrobenzenemethanol55912-20-4

Elsewhere

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