1,3-Difluoro-2-propanolo - ≥99% , CAS No.453-13-4

CAS: 453-13-4 Cat. No.: D170430 Formula: C₃H₆F₂O Peso molecolare: 96.08 Numero EC: 207-216-6

GRADE & PURITY ≥99%

Synonyms

2-Propanolo, 1,3-difluoro- | NSC76034 | NSC-76034 | 1,3-difluoro-propan-2-olo | 1,3-difluoropropan-2-olo | 1,3-difluoropropano-2-olo | BBL103761 | Q3494631 | R8ZM2LQG7K | 1,3-difluoroisopropanolo | DTXSID1060009 | EINECS 207-216-6 | BRN 1732050 | WLN: F1Y

Storage

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Panoramica

l'1,3-difluoro-2-propanolo è stato utilizzato per la sintesi dell'1,3-difluoroacetone

Specifications

Sinonimi

2-Propanolo, 1,3-difluoro- | NSC76034 | NSC-76034 | 1,3-difluoro-propan-2-olo | 1,3-difluoropropan-2-olo | 1,3-difluoropropano-2-olo | BBL103761 | Q3494631 | R8ZM2LQG7K | 1,3-difluoroisopropanolo | DTXSID1060009 | EINECS 207-216-6 | BRN 1732050 | WLN: F1Y

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

504754233

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754233

Sorrisi canonici

C(C(CF)O)F

IUPAC Name

1,3-difluoropropan-2-ol

InChIKey

PVDLUGWWIOGCNH-UHFFFAOYSA-N

INCHI

1S/C3H6F2O/c4-1-3(6)2-5/h3,6H,1-2H2

Isomeri SMILES

C(C(CF)O)F

WGK Germania

3

RTECS

UB1770000

Numero UN

1987

Gruppo di imballaggio

III

Peso molecolare

96.08

Reaxy-Rn

1732050

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732050&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Halohydrins
      • Subclass Fluorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Halohydrins
• Subclass: Fluorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorohydrins
• Alternative Parents: Secondary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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

• Indice di rifrazione: 1.373
• Punto di infiammabilità (°F): 107.6 °F
• Punto di infiammabilità (°C): 42 °C
• Punto di ebollizione (°C): 54-55 °C/34 mmHg
• Peso molecolare: 96.080 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 96.0387 Da
• Monoisotopic Mass: 96.0387 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.000
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 453-13-4, the molecular formula is C3H6F2O, and the molecular weight is 96.08 g/mol. InChIKey PVDLUGWWIOGCNH-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.