5-Chloro-1,3-dimethoxybenzene

• Catalog Number: ACM-MO-7051163
• Product Name: 5-Chloro-1,3-dimethoxybenzene
• CAS: 7051-16-3
• Category: Ethers
• Synonyms: 1-chloro-3,5-dimethoxybenzene
• IUPAC Name: 1-chloro-3,5-dimethoxybenzene
• Molecular Weight: 172.61 g/mol
• Molecular Formula: C8H9ClO2
• Canonical SMILES: COC1=CC(=CC(=C1)Cl)OC
• InChI: InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
• InChI Key: WQHNWJBSROXROL-UHFFFAOYSA-N
• Boiling Point: 238.5 °C
• Melting Point: 34-36 °C
• Appearance: White to Yellow or Pink Crystalline Powder
• Complexity: 107
• Covalently-Bonded Unit Count: 1
• EC Number: 230-330-2
• Exact Mass: 172.029107g/mol
• Formal Charge: 0
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 11
• Monoisotopic Mass: 172.029107g/mol
• NSC Number: 220095
• Refractive Index: 1.5100 (estimate)
• RIDADR: UN 3265 8 / PGII
• Rotatable Bond Count: 2
• SpecificGravity: 1.155
• Symbol: GHS07
• XLogP3: 3.1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C8H9ClO2.

What is the molecular weight of the compound?

The molecular weight is 172.61 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-chloro-3,5-dimethoxybenzene.

What is the InChI of the compound?

The InChI is InChI=1S/C8H9ClO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3.

What is the InChIKey of the compound?

The InChIKey is WQHNWJBSROXROL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is COC1=CC(=CC(=C1)Cl)OC.

What is the CAS number of the compound?

The CAS number is 7051-16-3.

What is the EC number of the compound?

The EC number is 230-330-2.

What is the UNII of the compound?

The UNII is GA9MV2ME3L.

Is the compound considered canonicalized?

Yes, the compound is considered canonicalized.