3-Iodobenzyloxybenzene

• CAS: 107623-21-2
• Catalog Number: ACM107623212
• Category: Ethers
• Molecular Weight: 310.13
• Molecular Formula: C₁₃H₁₁IO
• Synonyms: 3-Iodobenzyloxybenzene, 107623-21-2, 1-(Benzyloxy)-3-iodobenzene, 1-Benzyloxy-3-Iodobenzene, 1-iodo-3-phenylmethoxybenzene, ST51016225, ZINC00157048, PubChem3066, ACMC-1C7ZZ, SureCN314468, AC1N61WN, AC1Q4P8Z, 1-Benzyloxy-3-iodo-benzene, 1-Benzyl-Oxy-3-Iodobenzene, 532193_ALDRICH, 3-iodo-1-(phenylmethoxy)benzene, CTK4A5562, BENZYL 3-IODOPHENYL ETHER, 1-iodanyl-3-phenylmethoxy-benzene, ATTERCOP-CHM AT130335
• IUPAC Name: 1-iodo-3-phenylmethoxybenzene
• Canonical SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)I
• InChI Key: QMKHOPJXDQAHBG-UHFFFAOYSA-N
• Boiling Point: 369.7ºC at 760mmHg
• Melting Point: 47-50ºC
• Flash Point: 177.4ºC
• Density: 1.58g/cm³
• Appearance: solid
• EC Number: 926-005-6
• Exact Mass: 309.98500
• Hazard Statements: H302-H319
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• RIDADR: UN 3261 8 / PGII
• Safety Description: S22-S24/25
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the PubChem CID of 3-Iodobenzyloxybenzene?

PubChem CID 4228019.

What is the molecular formula of 3-Iodobenzyloxybenzene?

The molecular formula is C13H11IO.

What are the synonyms of 3-Iodobenzyloxybenzene?

The synonyms include 1-(Benzyloxy)-3-iodobenzene, 107623-21-2, 1-Benzyloxy-3-Iodobenzene, and 1-iodo-3-phenylmethoxybenzene.

What is the molecular weight of 3-Iodobenzyloxybenzene?

The molecular weight is 310.13 g/mol.

When was the compound created and last modified?

The compound was created on September 13, 2005, and last modified on November 25, 2023.

What is the IUPAC name of 3-Iodobenzyloxybenzene?

The IUPAC name is 1-iodo-3-phenylmethoxybenzene.

What is the InChI of 3-Iodobenzyloxybenzene?

The InChI is InChI=1S/C13H11IO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2.

What is the InChIKey of 3-Iodobenzyloxybenzene?

The InChIKey is QMKHOPJXDQAHBG-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Iodobenzyloxybenzene?

The canonical SMILES is C1=CC=C(C=C1)COC2=CC(=CC=C2)I.

Is 3-Iodobenzyloxybenzene a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.