4,4'-Diiodobiphenyl

• Catalog Number: ACM3001158-2
• Product Name: 4,4'-Diiodobiphenyl
• CAS: 3001-15-8
• Category: Aryl
• Synonyms: 4-(4'-Iodophenyl)iodobenzene
• IUPAC Name: 1-Iodo-4-(4-iodophenyl)benzene
• Molecular Weight: 406
• Molecular Formula: C12H8I2
• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)I)I
• InChI: InChI=1S/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
• InChI Key: GPYDMVZCPRONLW-UHFFFAOYSA-N
• Boiling Point: 380.9±35.0 °C
• Melting Point: 201-204 °C
• Density: 2.041 ± 0.06 g/ml
• Solubility: Soluble in hot toluene
• Appearance: Powder
• Storage: Keep in dark place, sealed in dry, room temperature
• Complexity: 145
• Covalently-Bonded Unit Count: 1
• EC Number: 221-080-5
• Exact Mass: 405.87155
• Formal Charge: 0
• Hazard Statements: H314
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 405.87155
• RIDADR: UN 3152PSN1 9 / PGII
• Rotatable Bond Count: 1
• Symbol: GHS05
• Topological Polar Surface Area: 0 Ų
• XLogP3: 5.7

Custom Q&A

What is the molecular formula of 4,4'-Diiodobiphenyl?

The molecular formula of 4,4'-Diiodobiphenyl is C12H10I2.

What is the molecular weight of 4,4'-Diiodobiphenyl?

The molecular weight of 4,4'-Diiodobiphenyl is 408.02 g/mol.

What is the IUPAC name of 4,4'-Diiodobiphenyl?

The IUPAC name of 4,4'-Diiodobiphenyl is 5,5-diiodo-2-phenylcyclohexa-1,3-diene.

What is the InChI of 4,4'-Diiodobiphenyl?

The InChI of 4,4'-Diiodobiphenyl is InChI=1S/C12H10I2/c13-12(14)8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8H,9H2.

What is the InChIKey of 4,4'-Diiodobiphenyl?

The InChIKey of 4,4'-Diiodobiphenyl is LZMQFZJLNIXQCA-UHFFFAOYSA-N.

What is the canonical SMILES of 4,4'-Diiodobiphenyl?

The canonical SMILES of 4,4'-Diiodobiphenyl is C1C=C(C=CC1(I)I)C2=CC=CC=C2.

What is the XLogP3-AA value of 4,4'-Diiodobiphenyl?

The XLogP3-AA value of 4,4'-Diiodobiphenyl is 4.6.

How many hydrogen bond donor counts does 4,4'-Diiodobiphenyl have?

4,4'-Diiodobiphenyl has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4,4'-Diiodobiphenyl have?

4,4'-Diiodobiphenyl has 0 hydrogen bond acceptor counts.

How many rotatable bond counts does 4,4'-Diiodobiphenyl have?

4,4'-Diiodobiphenyl has 1 rotatable bond count.