1,2-Dibromotétrafluorobenzène - ≥97% , CAS No.827-08-7

CAS: 827-08-7 Cat. No.: D122671 Formule: Br₂C₆F₄ Poids moléculaire: 307.87 Numéro CE: 212-564-7

GRADE & PURITY ≥97%

Synonyms

1,2-Dibromo-3,4,5,6-tetrafluorobenzene | O-DIBROMOPERFLUOROBENZENE | Benzene, 1,2-dibromo-3,4,5,6-tetrafluoro-, | AKOS007930264 | MFCD00039209 | SY109327 | Benzene,2-dibromo-3,4,5,6-tetrafluoro- | NSC 88296 | Tetrafluoro-1,2-dibromobenzene | D1479 | UNII-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1,2-Dibromo-3,4,5,6-tetrafluorobenzene | O-DIBROMOPERFLUOROBENZENE | Benzene, 1,2-dibromo-3,4,5,6-tetrafluoro-, | AKOS007930264 | MFCD00039209 | SY109327 | Benzene,2-dibromo-3,4,5,6-tetrafluoro- | NSC 88296 | Tetrafluoro-1,2-dibromobenzene | D1479 | UNII-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504754476

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754476

Sourires canoniques

C1(=C(C(=C(C(=C1F)Br)Br)F)F)F

IUPAC Name

1,2-dibromo-3,4,5,6-tetrafluorobenzene

InChIKey

IPLUWQPTPKNBRD-UHFFFAOYSA-N

INCHI

1S/C6Br2F4/c7-1-2(8)4(10)6(12)5(11)3(1)9

Isomères SMILES

C1(=C(C(=C(C(=C1F)Br)Br)F)F)F

WGK Allemagne

3

Poids moléculaire

307.87

Reaxy-Rn

1876470

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876470&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Indice de réfraction: 1.516
• Rotation spécifique [α]: 99°C(210°F)
• Point d'éclair (°F): 210.2 °F
• Point d'éclair (°C): 99 °C
• Point d'ébullition (°C): 197-199°C
• Point de fusion (°C): 16 °C
• Poids moléculaire: 307.870 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 307.828 Da
• Monoisotopic Mass: 305.83 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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

Foire aux questions

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

The CAS Number is 827-08-7, the molecular formula is C6Br2F4, and the molecular weight is 307.87 g/mol. InChIKey IPLUWQPTPKNBRD-UHFFFAOYSA-N.