1-Bromo-2-methoxynaphthalene

C11H9BrOCAS 3401-47-6237.10 g/mol

Open in Covalent MOL file
OBr
Aryl halideEther

Properties

Molecular formula
C11H9BrO
Molar mass
237.10 g/mol
Exact mass
235.9837 Da
Melting point
85 °C
Boiling point
190–192 °C (at 22 Torr)
logP
3.61Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
3401-47-6
SMILES
COc1ccc2ccccc2c1Br
InChIKey
XNIGURFWNPLWJM-UHFFFAOYSA-N
InChI
InChI=1S/C11H9BrO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3

Weigh it out

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Names and synonyms

4 names
  • Naphthalene, 1-bromo-2-methoxy-
  • 1-Bromo-2-naphthyl methyl ether
  • NSC 110660
  • 2-Methoxy-1-bromonaphthalene

Work with 1-Bromo-2-methoxynaphthalene

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

2,2'-Dimethoxy-1,1'-binaphthyl35294-28-163 % similar (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene75640-87-863 % similar (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthyl75685-01-763 % similar 2,3-Dibromo-1,4-dimethoxybenzene5030-61-559 % similar 1-Methoxynaphthalene2216-69-557 % similar 2-Bromo-1,3-dimethoxybenzene16932-45-955 % similar 1,4-Dimethoxynaphthalene10075-62-454 % similar 1-Bromonaphthalen-2-amine20191-75-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-6-methoxynaphthalene5111-65-9 1-Bromo-4-methoxynaphthalene5467-58-3

Elsewhere

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