2,5-Difluorotoluene - ≥98% , CAS No.452-67-5

CAS: 452-67-5 Cat. No.: D120698 Summenformel: C₇H₆F₂ Molekulargewicht: 128.12 Beilstein Registry Number: 2041492 EG-Nummer: 207-205-6

GRADE & PURITY ≥98%

Synonyms

1,4-Difluoro-2-methylbenzene # | D4042 | AM20060400 | Q63396382 | TOLUENE, 2,5-DIFLUORO- | NSC 25757 | EN300-95447 | FT-0610370 | W-106152 | AC-9823 | MFCD00000347 | 2,5-Difluorotolune | A7131 | UNII-7K9PUS3HC7 | PS-11940 | NSC25757 | NSC-25757 | 1,4-Difl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1,4-Difluoro-2-methylbenzene # | D4042 | AM20060400 | Q63396382 | TOLUENE, 2,5-DIFLUORO- | NSC 25757 | EN300-95447 | FT-0610370 | W-106152 | AC-9823 | MFCD00000347 | 2,5-Difluorotolune | A7131 | UNII-7K9PUS3HC7 | PS-11940 | NSC25757 | NSC-25757 | 1,4-Difl

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504754231

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754231

Kanonisches Lächeln

CC1=C(C=CC(=C1)F)F

IUPAC Name

1,4-difluoro-2-methylbenzene

InChIKey

YSNVKDGEALPJGC-UHFFFAOYSA-N

INCHI

1S/C7H6F2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

Isomere SMILES

CC1=C(C=CC(=C1)F)F

Molekulargewicht

128.12

Beilstein

2041492

Reaxy-Rn

2041492

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041492&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Toluenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.453
• Flammpunkt (°F): 12°C
• Flammpunkt (°C): 12°C
• Siedepunkt (°C): 117°C
• Schmelzpunkt (°C): -35°C
• Molekulargewicht: 128.120 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.044 Da
• Monoisotopic Mass: 128.044 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.900
• 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

Häufig gestellte Fragen

How is this product shipped?

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

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 452-67-5, the molecular formula is C7H6F2, and the molecular weight is 128.12 g/mol. InChIKey YSNVKDGEALPJGC-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.