3-Bromophenylsulfur Pentafluoride - ≥95% , CAS No.672-30-0

CAS: 672-30-0 Cat. No.: B152238 Formula: C₆H₄BrF₅S Peso molecolare: 283.05 Numero EC: 636-283-8

GRADE & PURITY ≥95%

Synonyms

Z295409406 | DTXSID50381311 | E?-sulfanyl)benzene | (3-Bromophenyl)sulfur pentafluoride | 1-bromo-3-(pentafluoro-lambda6-sulfanyl)benzene | (3-bromophenyl)-pentafluoro-$l^{6}-sulfane | 3-Bromophenylsulfur pentafluoride | SCHEMBL3962 | AKOS005254369 | STL5

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

Z295409406 | DTXSID50381311 | E?-sulfanyl)benzene | (3-Bromophenyl)sulfur pentafluoride | 1-bromo-3-(pentafluoro-lambda6-sulfanyl)benzene | (3-bromophenyl)-pentafluoro-$l^{6}-sulfane | 3-Bromophenylsulfur pentafluoride | SCHEMBL3962 | AKOS005254369 | STL5

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC(=C1)Br)S(F)(F)(F)(F)F

IUPAC Name

(3-bromophenyl)-pentafluoro-λ6-sulfane

InChIKey

QRPMKEUTGAXKSD-UHFFFAOYSA-N

INCHI

1S/C6H4BrF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H

Isomeri SMILES

C1=CC(=CC(=C1)Br)S(F)(F)(F)(F)F

WGK Germania

3

Peso molecolare

283.05

Reaxy-Rn

2694822

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2694822&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: Bromobenzenes
• Alternative Parents: Aryl bromides Organosulfur compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.48
• Punto di infiammabilità (°F): 188.6 °F
• Punto di infiammabilità (°C): 88°C(lit.)
• Punto di ebollizione (°C): 82°C/12mmHg(lit.)
• Peso molecolare: 283.060 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 281.914 Da
• Monoisotopic Mass: 281.914 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 208.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 672-30-0, the molecular formula is C6H4BrF5S, and the molecular weight is 283.05 g/mol. InChIKey QRPMKEUTGAXKSD-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.