1-Bromo-2-chloro-4-methoxybenzene

C₇H₆BrClOCAS 50638-46-5221.48 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆BrClO
Molar mass: 221.48 g/mol
Exact mass: 219.9291 Da
logP: 3.11Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

50638-46-5

SMILES

COc1ccc(Br)c(Cl)c1

InChIKey

SUFFQYRWSRMBQC-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrClO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-bromo-2-chloro-4-methoxy-
4-Bromo-3-chloroanisole
3-Chloro-4-bromoanisole
1-Bromo-2-chloro-4-(methyloxy)benzene

Work with 1-Bromo-2-chloro-4-methoxybenzene

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-Dichloro-4-methoxybenzene36404-30-564 % similar 2-Chloro-4-methoxyphenol18113-03-661 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-460 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-760 % similar 4-Bromo-3-methylanisole27060-75-958 % similar 2-Chloro-4-methoxy-1-methylbenzene54788-38-458 % similar 2-Bromo-5-methoxybenzenamine59557-92-558 % similar 2-Chloro-1-fluoro-4-methoxybenzene202925-07-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(5-Bromo-2-chlorophenyl)methanol149965-40-2 5-Bromo-2-chloroanisole16817-43-9 1-Bromo-4-chloro-2-methoxybenzene174913-09-8 3-Bromo-4-chloroanisole2732-80-1 2-Bromo-4-chloroanisole60633-25-2 4-Bromo-6-chloro-2-cresol7530-27-0

Elsewhere

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