2,4,6-Trichloroanisole

• CAS: 87-40-1
• Catalog Number: ACM87401
• Category: Ethers
• Molecular Weight: 211.5
• Molecular Formula: C7H5Cl3O
• Synonyms: 1,3,5-Trichloro-2-methoxybenzene
• IUPAC Name: 1,3,5-trichloro-2-methoxybenzene
• 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 Ų
• WGK Germany: 3
• XLogP3-AA: 4

Custom Q&A

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.