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

CAS: 946525-30-0 Cat. No.: B196012 Fórmula: C₇H₆BrIO Peso molecular: 312.93 Número CE: 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

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504771241

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771241

Sorrisos canónicos

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

SMILES isoméricas

C1=CC(=C(C=C1I)CO)Br

WGK Alemanha

3

Peso molecular

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 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