4-Bromo-4'-Hydroxybiphenyl

• CAS: 29558-77-8
• Catalog Number: ACM29558778
• Category: Bromine Series
• Molecular Weight: 249.1
• Molecular Formula: C12H9BrO
• Synonyms: [1,1'-Biphenyl]-4-Ol, 4'-Bromo-
• IUPAC Name: 4-(4-bromophenyl)phenol
• SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)O
• InChI: InChI=1S/C12H9BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H
• InChI Key: ARUBXNBYMCVENE-UHFFFAOYSA-N
• Boiling Point: 355.5 ºC
• Melting Point: 164-166 ºC
• Appearance: White solid
• Application: 4-Bromo-4'-Hydroxybiphenyl is a white or cream powder that serves as a versatile biphenyl starting material in chemical synthesis. It acts as a valuable intermediate, particularly in processes like the vinylation with ethyl acrylate using a Pd(OAc)2/PPh3 catalyst, which produces ethyl 4-(4'-hydroxyphenyl) cinnamate with some 4-hydroxybiphenyl and ethyl cinnamate as byproducts. Additionally, 4-Bromo-4'-Hydroxybiphenyl can be synthesized from 4-bromo-4'-benzenesulphonyloxybiphenyl through hydrolysis with sodium hydroxide in a dioxan-water mixture. It also plays a role in creating nanocomposite dendrimers based on cyclic phosphazene cores by reacting with phosphonitrilic chloride trimer in the presence of K2CO3 and THF, demonstrating its utility in a wide range of applications.
• Complexity: 167
• Covalently-Bonded Unit Count: 1
• Exact Mass: 247.98368g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 14
• Monoisotopic Mass: 247.98368g/mol
• NSC Number: 130468;17284
• Rotatable Bond Count: 1
• UNII: FW4M61S0BB
• XLogP3: 4.7

Custom Q&A

What is the PubChem CID for 4-Bromo-4'-hydroxybiphenyl?

The PubChem CID for 4-Bromo-4'-hydroxybiphenyl is 44181770.

What is the molecular formula of 4-Bromo-4'-hydroxybiphenyl?

The molecular formula of 4-Bromo-4'-hydroxybiphenyl is C12H11BrO.

What is the molecular weight of 4-Bromo-4'-hydroxybiphenyl?

The molecular weight of 4-Bromo-4'-hydroxybiphenyl is 251.12 g/mol.

What is the IUPAC name of 4-Bromo-4'-hydroxybiphenyl?

The IUPAC name of 4-Bromo-4'-hydroxybiphenyl is 1-bromo-4-phenylcyclohexa-2,4-dien-1-ol.

What is the InChI of 4-Bromo-4'-hydroxybiphenyl?

The InChI of 4-Bromo-4'-hydroxybiphenyl is InChI=1S/C12H11BrO/c13-12(14)8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8,14H,9H2.

What is the InChIKey of 4-Bromo-4'-hydroxybiphenyl?

The InChIKey of 4-Bromo-4'-hydroxybiphenyl is YOTNOWHVKHYWRI-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-4'-hydroxybiphenyl?

The canonical SMILES of 4-Bromo-4'-hydroxybiphenyl is C1C=C(C=CC1(O)Br)C2=CC=CC=C2.

What is the CAS number of 4-Bromo-4'-hydroxybiphenyl?

The CAS number of 4-Bromo-4'-hydroxybiphenyl is 1184919-27-4.

What is the XLogP3-AA value of 4-Bromo-4'-hydroxybiphenyl?

The XLogP3-AA value of 4-Bromo-4'-hydroxybiphenyl is 2.9.

Is 4-Bromo-4'-hydroxybiphenyl capable of forming hydrogen bonds?

Yes, 4-Bromo-4'-hydroxybiphenyl has one hydrogen bond donor and one hydrogen bond acceptor.