2,4,6-Trichloroanisole

CAS
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Purity
Price
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CAS
87-40-1
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM87401

Product Name

2,4,6-Trichloroanisole

Structure

Structure

CAS

87-40-1

Category

Ethers

Synonyms

1,3,5-Trichloro-2-methoxybenzene

IUPAC Name

1,3,5-trichloro-2-methoxybenzene

Molecular Weight

211.5

Molecular Formula

C7H5Cl3O

Canonical SMILES

COC1=C(C=C(C=C1Cl)Cl)Cl

InChI Key

WCVOGSZTONGSQY-UHFFFAOYSA-N

Boiling Point

132ºC28 mm Hg(lit.)

Melting Point

60-62ºC(lit.)

Flash Point

11ºC

Density

1.416g/cm³

Appearance

white or off-white fibrous powder

Complexity

119

Defined Atom Stereocenter Count

0

EC Number

201-743-5

Exact Mass

209.9405

Formal Charge

0

Hazard Statements

H226

H-Bond Acceptor

1

H-Bond Donor

0

Heavy Atom Count

11

Hydrogen Bond Acceptor Count

1

Hydrogen Bond Donor Count

0

Isotope Atom Count

0

Monoisotopic Mass

209.9405

RIDADR

UN 1993C 3 / PGIII

Rotatable Bond Count

1

Safety Description

26-45-36/37-16-7

Stability

Stable. Incompatible with strong oxidizing agents.

Symbol

GHS02

Topological Polar Surface Area

9.2 Å²

WGK Germany

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2,4,6-Trichloroanisole?

The molecular formula of 2,4,6-Trichloroanisole is C7H5Cl3O.

What is the molecular weight of 2,4,6-Trichloroanisole?

The molecular weight of 2,4,6-Trichloroanisole is 211.5 g/mol.

What is the IUPAC name of 2,4,6-Trichloroanisole?

The IUPAC name of 2,4,6-Trichloroanisole is 1,3,5-trichloro-2-methoxybenzene.

What is the InChI of 2,4,6-Trichloroanisole?

The InChI of 2,4,6-Trichloroanisole is InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3.

What is the InChIKey of 2,4,6-Trichloroanisole?

The InChIKey of 2,4,6-Trichloroanisole is WCVOGSZTONGSQY-UHFFFAOYSA-N.

What is the canonical SMILES of 2,4,6-Trichloroanisole?

The canonical SMILES of 2,4,6-Trichloroanisole is COC1=C(C=C(C=C1Cl)Cl)Cl.

What is the CAS number of 2,4,6-Trichloroanisole?

The CAS number of 2,4,6-Trichloroanisole is 87-40-1.

What is the European Community (EC) number of 2,4,6-Trichloroanisole?

The European Community (EC) number of 2,4,6-Trichloroanisole is 201-743-5.

What is the UNII of 2,4,6-Trichloroanisole?

The UNII of 2,4,6-Trichloroanisole is 31O3X41254.

What is the KEGG ID of 2,4,6-Trichloroanisole?

The KEGG ID of 2,4,6-Trichloroanisole is C11510.

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