1-Bromo-4-methoxy-2,5-dimethylbenzene

CAS
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Purity
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CAS
58106-25-5
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM58106255

Product Name

1-Bromo-4-methoxy-2,5-dimethylbenzene

Structure

Structure

CAS

58106-25-5

Category

Ethers

Synonyms

1-Bromo-4-methoxy-2,5-dimethylbenzene, 4-Bromo-2,5-dimethylanisole, 58106-25-5, ZINC02382996, ACMC-20aowt, AC1MBLG8, SureCN5859293, 519626_ALDRICH, CTK6J5421, MolPort-003-661-851, AKOS004907335, AG-L-58190, AG-L-63013, KB-86207, C-5958, I01-17155

IUPAC Name

1-bromo-4-methoxy-2,5-dimethylbenzene

Molecular Weight

215.09

Molecular Formula

C₉H₁₀O₅

Canonical SMILES

CC1=CC(=C(C=C1Br)C)OC

InChI Key

YSSZMKUHFOKNPD-UHFFFAOYSA-N

Boiling Point

250ºC at 760mmHg

Melting Point

34-38ºC(lit.)

Flash Point

>110ºC

Density

1.326g/cm³

Exact Mass

213.99900

Hazard Statements

H302-H412

H-Bond Acceptor

1

H-Bond Donor

0

RIDADR

NONH for all modes of transport

Safety Description

26-36/37

Symbol

GHS07

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The molecular formula is C9H11BrO.

What is the molecular weight of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The molecular weight is 215.09 g/mol.

What is the IUPAC name of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The IUPAC name is 1-bromo-4-methoxy-2,5-dimethylbenzene.

What is the InChI of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The InChI is InChI=1S/C9H11BrO/c1-6-5-9(11-3)7(2)4-8(6)10/h4-5H,1-3H3.

What is the InChIKey of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The InChIKey is YSSZMKUHFOKNPD-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The canonical SMILES is CC1=CC(=C(C=C1Br)C)OC.

What is the CAS number of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The CAS number is 58106-25-5.

What is the XLogP3-AA value of 1-Bromo-4-methoxy-2,5-dimethylbenzene?

The XLogP3-AA value is 3.3.

How many hydrogen bond acceptor count does 1-Bromo-4-methoxy-2,5-dimethylbenzene have?

It has 1 hydrogen bond acceptor count.

How many rotatable bond count does 1-Bromo-4-methoxy-2,5-dimethylbenzene have?

It has 1 rotatable bond count.

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