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

CAS: 946525-30-0 Cat. No.: B196012 분자식: C₇H₆BrIO 분자량: 312.93 EC 번호: 802-196-0

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504771241

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

분자량

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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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