1-Bromo-4-(tert-butoxy)benzene

• CAS: 60876-70-2
• Catalog Number: ACM60876702
• Category: Bromine Series
• Molecular Weight: 229.11
• Molecular Formula: C₁₀H₁₃BrO
• Synonyms: 1-Bromo-4-tert-butoxybenzene, MolPort-001-767-852, ZINC00169255, CID2763959, B138, 4T-0017, 60876-70-2, InChI=1/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H
• IUPAC Name: 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene
• Canonical SMILES: CC(C)(C)OC1=CC=C(C=C1)Br
• InChI Key: QIWQHUCUWNGYDZ-UHFFFAOYSA-N
• Boiling Point: 63-65ºC 0,4mm
• Melting Point: 32-33ºC
• Density: 1.278g/cm³
• Exact Mass: 228.01500
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Safety Description: S26-S36

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene.

What is the molecular formula of the compound?

The molecular formula of the compound is C10H13BrO.

What is the molecular weight of the compound?

The molecular weight of the compound is 229.11 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3.

What is the InChIKey of the compound?

The InChIKey of the compound is QIWQHUCUWNGYDZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)(C)OC1=CC=C(C=C1)Br.

What is the CAS number of the compound?

The CAS number of the compound is 60876-70-2.

What is the EC number of the compound?

The EC number of the compound is 641-192-1.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID20377221.

What is the exact mass of the compound?

The exact mass of the compound is 228.01498 g/mol.