2,3,4,5,6-Pentabromobenzyl alcohol

• CAS: 79415-41-1
• Catalog Number: ACM79415411-2
• Category: Alcohols
• Molecular Weight: 502.62
• Molecular Formula: C7H3Br5O
• Synonyms: Pentabromobenzyl alcohol
• IUPAC Name: (2,3,4,5,6-Pentabromophenyl)methanol
• Canonical SMILES: C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
• InChI: InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
• InChI Key: KKWHDMUCBWSKGL-UHFFFAOYSA-N
• Boiling Point: 473.8ºC at 760 mmHg
• Melting Point: 260 °C
• Flash Point: 240.3ºC
• Density: 2.6939 g/cm3
• Appearance: white to light yellow crystalline powder
• Complexity: 162
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 501.60598
• Formal Charge: 0
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 497.61008
• Physical State: Solid
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 1
• Safety Description: 26-36
• Symbol: GHS07
• Topological Polar Surface Area: 20.2 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Q&A

What is the molecular formula of 2,3,4,5,6-Pentabromobenzyl alcohol?

The molecular formula of 2,3,4,5,6-Pentabromobenzyl alcohol is C7H3Br5O.

What is the molecular weight of 2,3,4,5,6-Pentabromobenzyl alcohol?

The molecular weight of 2,3,4,5,6-Pentabromobenzyl alcohol is 502.62 g/mol.

What is the IUPAC name of 2,3,4,5,6-Pentabromobenzyl alcohol?

The IUPAC name of 2,3,4,5,6-Pentabromobenzyl alcohol is (2,3,4,5,6-pentabromophenyl)methanol.

What is the InChI of 2,3,4,5,6-Pentabromobenzyl alcohol?

The InChI of 2,3,4,5,6-Pentabromobenzyl alcohol is InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2.

What is the InChIKey of 2,3,4,5,6-Pentabromobenzyl alcohol?

The InChIKey of 2,3,4,5,6-Pentabromobenzyl alcohol is KKWHDMUCBWSKGL-UHFFFAOYSA-N.

What is the canonical SMILES of 2,3,4,5,6-Pentabromobenzyl alcohol?

The canonical SMILES of 2,3,4,5,6-Pentabromobenzyl alcohol is C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O.

What is the CAS number of 2,3,4,5,6-Pentabromobenzyl alcohol?

The CAS number of 2,3,4,5,6-Pentabromobenzyl alcohol is 79415-41-1.

What is the EC number of 2,3,4,5,6-Pentabromobenzyl alcohol?

The EC number of 2,3,4,5,6-Pentabromobenzyl alcohol is 623-305-6.

What is the hydrogen bond donor count of 2,3,4,5,6-Pentabromobenzyl alcohol?

The hydrogen bond donor count of 2,3,4,5,6-Pentabromobenzyl alcohol is 1.

What is the hydrogen bond acceptor count of 2,3,4,5,6-Pentabromobenzyl alcohol?

The hydrogen bond acceptor count of 2,3,4,5,6-Pentabromobenzyl alcohol is 1.