Kanonisches Lächeln	CCC(C)(F)F
IUPAC Name	2,2-difluorobutane
InChIKey	IIADOUMJKYSCPM-UHFFFAOYSA-N
INCHI	1S/C4H8F2/c1-3-4(2,5)6/h3H2,1-2H3
Isomere SMILES	CCC(C)(F)F
PubChem CID	520729
Molekulargewicht	94.1

Documentation

📋 Safety Data Sheet (SDS)

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Klasse Organofluorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Klasse	Organofluorides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organofluorides
Alternative Parents	Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
External Descriptors	Not available
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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Analytical Chart:

Chemische und physikalische Eigenschaften

Schmelzpunkt (°C)	-114
Molekulargewicht	94.100 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	94.0594 Da
Monoisotopic Mass	94.0594 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	40.800
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

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2,2-Difluorobutane - ≥95% , CAS No.353-81-1

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Specifications