2-Chloro-1-methoxy-4-nitrobenzene

C₇H₆ClNO₃CAS 4920-79-0187.58 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: 62 °C
logP: 2.26Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4920-79-0

SMILES

COc1ccc([N+](=O)[O-])cc1Cl

InChIKey

DLJPNXLHWMRQIQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzene, 2-chloro-1-methoxy-4-nitro-
Anisole, 2-chloro-4-nitro-
3-Chloro-4-methoxynitrobenzene
2-Chloro-4-nitroanisole

Work with 2-Chloro-1-methoxy-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

1,2-Dimethoxy-4-nitrobenzene709-09-171 % similar 2,4-Dinitroanisole119-27-767 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-965 % similar 2-Methoxy-5-nitroaniline99-59-265 % similar 1,3-Dichloro-2-methoxy-5-nitrobenzene17742-69-764 % similar 2-Fluoro-1-methoxy-4-nitrobenzene455-93-663 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-463 % similar 2-Iodo-1-methoxy-4-nitrobenzene5399-03-163 % 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-6-methoxypyridine-3-carboxylic acid503000-87-1 4-Chloro-3-nitrobenzenemethanol55912-20-4

Elsewhere

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