5-Bromo-2-chloroanisole

C₇H₆BrClOCAS 16817-43-9221.48 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
Melting point: 27–28 °C
Boiling point: 114 °C (at 9 Torr)
logP: 3.11Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

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

Aggregated from 2 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

16817-43-9

SMILES

COc1cc(Br)ccc1Cl

InChIKey

UAMVKOTWSHJOSY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzene, 4-bromo-1-chloro-2-methoxy-
Anisole, 5-bromo-2-chloro-
4-Bromo-1-chloro-2-methoxybenzene
2-Chloro-5-bromoanisole
4-Chloro-3-methoxybromobenzene
5-Bromo-2-chloro-1-methoxybenzene
3-Bromo-6-chloroanisole
1-Bromo-4-chloro-3-methoxybenzene

Work with 5-Bromo-2-chloroanisole

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

Bromoveratrole2859-78-164 % similar 1,4-Dichloro-2-methoxybenzene1984-58-360 % similar 1-Chloro-2,4-dimethoxybenzene7051-13-060 % similar 4-Bromo-2-methoxybenzenamine59557-91-458 % similar 5-Bromo-2-chlorotoluene54932-72-857 % similar 4-Bromo-1-fluoro-2-methoxybenzene103291-07-256 % similar 4-Chloro-3-methoxyaniline13726-14-256 % similar 1-Chloro-4-fluoro-2-methoxybenzene450-89-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(5-Bromo-2-chlorophenyl)methanol149965-40-2 1-Bromo-4-chloro-2-methoxybenzene174913-09-8 3-Bromo-4-chloroanisole2732-80-1 1-Bromo-2-chloro-4-methoxybenzene50638-46-5 2-Bromo-4-chloroanisole60633-25-2 4-Bromo-6-chloro-2-cresol7530-27-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook