2,4-Dibromo-6-fluorophenol - ≥97% , CAS No.576-86-3

CAS: 576-86-3 Cat. No.: D134218 분자식: C₆H₃Br₂FO 분자량: 269.91 EC 번호: 611-567-4

GRADE & PURITY ≥97%

Synonyms

2,4-bis(bromanyl)-6-fluoranyl-phenol | AS-49762 | 2,4-dibromo-6-fluorophenol | MFCD00042233 | XJDJZAUITWTZAS-UHFFFAOYSA-N | A831558 | FT-0609981 | SY040754 | Phenol, 2,4-dibromo-6-fluoro- | AKOS005257573 | SCHEMBL11744136 | N10389 | DTXSID00378812

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

2,4-bis(bromanyl)-6-fluoranyl-phenol | AS-49762 | 2,4-dibromo-6-fluorophenol | MFCD00042233 | XJDJZAUITWTZAS-UHFFFAOYSA-N | A831558 | FT-0609981 | SY040754 | Phenol, 2,4-dibromo-6-fluoro- | AKOS005257573 | SCHEMBL11744136 | N10389 | DTXSID00378812

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

504761863

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761863

정식 스마일

C1=C(C=C(C(=C1F)O)Br)Br

IUPAC Name

2,4-dibromo-6-fluorophenol

InChIKey

XJDJZAUITWTZAS-UHFFFAOYSA-N

INCHI

1S/C6H3Br2FO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

이성체 SMILES

C1=C(C=C(C(=C1F)O)Br)Br

분자량

269.91

Reaxy-Rn

1867617

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867617&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 P-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: P-bromophenols
• Alternative Parents: O-fluorophenols O-bromophenols Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-bromophenol - 2-bromophenol - 2-fluorophenol - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 position of the benzene ring.
• 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

• 녹는점(°C): 30-33°C
• 분자량: 269.890 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 269.851 Da
• Monoisotopic Mass: 267.853 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 576-86-3, the molecular formula is C6H3Br2FO, and the molecular weight is 269.91 g/mol. InChIKey XJDJZAUITWTZAS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.