3-Methoxyphenethyl bromide

• Catalog Number: ACM2146614
• Product Name: 3-Methoxyphenethyl bromide
• CAS: 2146-61-4
• Category: Ethers
• Synonyms: 3-Methoxyphenethyl bromide, Anisole, m-(2-bromoethyl)-, 655333_ALDRICH, MolPort-002-681-382, 1-Bromo-2-(3-methoxyphenyl)ethane, 3-Methoxy-1-(2-bromoethyl)benzene, CID137450, ZINC06019038, Benzene, 1-(2-bromoethyl)-3-methoxy-, BAS 15381689, 2146-61-4
• IUPAC Name: 1-(2-bromoethyl)-3-methoxybenzene
• Molecular Weight: 215.09
• Molecular Formula: C₉H₁₀O₃
• Canonical SMILES: COC1=CC=CC(=C1)CCBr
• InChI Key: LQDHVNHVHAYANB-UHFFFAOYSA-N
• Boiling Point: 253ºC at 760 mmHg
• Flash Point: 100.2ºC
• Density: 1.3708 g/mL at 25ºC(lit.)
• Appearance: COLORLESS TO YELLOW LIQUID
• Exact Mass: 213.99900
• Hazard Statements: H302-H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36/37/39-45
• Symbol: GHS07

Custom Q&A

What is the PubChem CID of 3-Methoxyphenethyl bromide?

The PubChem CID of 3-Methoxyphenethyl bromide is 137450.

What is the molecular formula of 3-Methoxyphenethyl bromide?

The molecular formula of 3-Methoxyphenethyl bromide is C9H11BrO.

What is the molecular weight of 3-Methoxyphenethyl bromide?

The molecular weight of 3-Methoxyphenethyl bromide is 215.09 g/mol.

What is the IUPAC name of 3-Methoxyphenethyl bromide?

The IUPAC name of 3-Methoxyphenethyl bromide is 1-(2-bromoethyl)-3-methoxybenzene.

What is the InChI of 3-Methoxyphenethyl bromide?

The InChI of 3-Methoxyphenethyl bromide is InChI=1S/C9H11BrO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6H2,1H3.

What is the InChIKey of 3-Methoxyphenethyl bromide?

The InChIKey of 3-Methoxyphenethyl bromide is LQDHVNHVHAYANB-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methoxyphenethyl bromide?

The canonical SMILES of 3-Methoxyphenethyl bromide is COC1=CC=CC(=C1)CCBr.

What is the CAS number of 3-Methoxyphenethyl bromide?

The CAS number of 3-Methoxyphenethyl bromide is 2146-61-4.

What is the XLogP3 value of 3-Methoxyphenethyl bromide?

The XLogP3 value of 3-Methoxyphenethyl bromide is 3.3.

Is 3-Methoxyphenethyl bromide a canonicalized compound?

Yes, 3-Methoxyphenethyl bromide is a canonicalized compound according to PubChem.