2,5-Difluorophenyl Isocyanate - ≥98%(GC) , CAS No.39718-32-6

CAS: 39718-32-6 Cat. No.: D155978 Summenformel: C₇H₃F₂NO Molekulargewicht: 155.1 EG-Nummer: 623-606-2

GRADE & PURITY ≥98%(GC)

Synonyms

2,5-Difluorophenyl isocyanate | D3695 | A824707 | Benzene, 1,4-difluoro-2-isocyanato- | DTXSID30369819 | SCHEMBL546406 | 2,5-Difluorophenylisocyanate | BBL037649 | EN300-149679 | PS-10290 | AKOS000196282 | SNHIIFOXCRYGGY-UHFFFAOYSA-N | FT-0610360 | W-2003

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

2,5-Difluorophenyl isocyanate is an aryl fluorinated building block. It is also referred as 2,5-difluorophenyl ester of isocyanic acid.

Specifications

Synonyme

2,5-Difluorophenyl isocyanate | D3695 | A824707 | Benzene, 1,4-difluoro-2-isocyanato- | DTXSID30369819 | SCHEMBL546406 | 2,5-Difluorophenylisocyanate | BBL037649 | EN300-149679 | PS-10290 | AKOS000196282 | SNHIIFOXCRYGGY-UHFFFAOYSA-N | FT-0610360 | W-2003

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504760980

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760980

Kanonisches Lächeln

C1=CC(=C(C=C1F)N=C=O)F

IUPAC Name

1,4-difluoro-2-isocyanatobenzene

InChIKey

SNHIIFOXCRYGGY-UHFFFAOYSA-N

INCHI

1S/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H

Isomere SMILES

C1=CC(=C(C=C1F)N=C=O)F

WGK Deutschland

3

Molekulargewicht

155.1

Reaxy-Rn

2091753

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091753&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: Aryl fluorides Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl fluoride - Aryl halide - Isocyanate - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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

• Empfindlichkeit: Heat sensitive ;Moisture sensitive
• Brechungsindex: 1.49
• Flammpunkt (°F): 132.8 °F
• Flammpunkt (°C): 56°C(lit.)
• Siedepunkt (°C): 54°C/14mmHg(lit.)
• Molekulargewicht: 155.100 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.018 Da
• Monoisotopic Mass: 155.018 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 179.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 39718-32-6, the molecular formula is C7H3F2NO, and the molecular weight is 155.1 g/mol. InChIKey SNHIIFOXCRYGGY-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.