3,5-Dimethoxybenzyl bromide

Inquiry

Molecular Formula:

C9H11BrO2

Molecular Weight:

231.09

CAS Number:

877-88-3

Catalog Number:

877-88-3

Product Information

Molecular Formula:

C9H11BrO2

Molecular Weight:

231.09

Description

Reagent used in dimethoxybenzene alkyl addition.

Synonyms

1-(bromomethyl)-3,5-dimethoxybenzene

IUPAC Name

1-(bromomethyl)-3,5-dimethoxybenzene

Canonical SMILES

COC1=CC(=CC(=C1)CBr)OC

InChI

InChI=1S/C9H11BrO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3

InChI Key

BTHIGJGJAPYFSJ-UHFFFAOYSA-N

Boiling Point

292.1 ℃ at 760 mmHg

Melting Point

69-70 ℃

Purity

95 %

Density

1.384 g/cm³

Appearance

White to almost white powder to crystal

Storage

Refrigerator

LogP

2.59870

Safety Information

Hazards

H314 H290

Precautionary Statement

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501

Signal Word

Danger

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

229.99424 g/mol

Monoisotopic Mass

229.99424 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

118

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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3,5-Dimethoxybenzyl bromide

Product Information

Safety Information

Computed Properties

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