(2-Bromo-5-iodophenyl)methanol - ≥98% , CAS No.946525-30-0

CAS: 946525-30-0 Cat. No.: B196012 Summenformel: C₇H₆BrIO Molekulargewicht: 312.93 EG-Nummer: 802-196-0

GRADE & PURITY ≥98%

Synonyms

Z1269159494 | AC-30706 | CL9121 | SY110675 | WMB52530 | 2-BROMO-5-IODOBENZYL ALCOHOL | (2-bromo-5-iodophenyl)methanol | 2-BROMO-5-IODOBENZENEMETHANOL | AS-813/43501691 | WDXHGFYJUQMFDV-UHFFFAOYSA-N | FT-0707188 | 4-Bromo-3-hydroxymethyl-1-iodo-benzene | S

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

Z1269159494 | AC-30706 | CL9121 | SY110675 | WMB52530 | 2-BROMO-5-IODOBENZYL ALCOHOL | (2-bromo-5-iodophenyl)methanol | 2-BROMO-5-IODOBENZENEMETHANOL | AS-813/43501691 | WDXHGFYJUQMFDV-UHFFFAOYSA-N | FT-0707188 | 4-Bromo-3-hydroxymethyl-1-iodo-benzene | S

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504771241
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771241
• Kanonisches Lächeln: C1=CC(=C(C=C1I)CO)Br
• IUPAC Name: (2-bromo-5-iodophenyl)methanol
• InChIKey: WDXHGFYJUQMFDV-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrIO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
• Isomere SMILES: C1=CC(=C(C=C1I)CO)Br
• WGK Deutschland: 3
• Molekulargewicht: 312.93
• Reaxy-Rn: 15533131
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15533131&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Iodobenzenes Bromobenzenes Aryl iodides Aryl bromides Primary alcohols Organoiodides Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Bromobenzene - Halobenzene - Iodobenzene - Aryl bromide - Aryl halide - Aryl iodide - Organohalogen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organobromide - Organoiodide - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 312.930 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 311.865 Da
• Monoisotopic Mass: 311.865 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1