2-(4-Fluorophenyl)-2-propanol - ≥95%(GC) , CAS No.402-41-5

CAS: 402-41-5 Cat. No.: F156597 Formula: C₉H₁₁FO Peso molecolare: 154.18 Numero EC: 670-575-6

GRADE & PURITY ≥95%(GC)

Synonyms

PS-8873 | DTXSID30348482 | A825000 | FT-0608646 | AMY4670 | SY050392 | SCHEMBL1835626 | benzenemethanol, 4-fluoro-alpha,alpha-dimethyl- | alpha,alpha-Dimethyl-4-fluorobenzyl alcohol | alpha,alpha-dimethyl4-fluorobenzyl alcohol | QURXIISLVHJNGB-UHFFFAOYSA-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

PS-8873 | DTXSID30348482 | A825000 | FT-0608646 | AMY4670 | SY050392 | SCHEMBL1835626 | benzenemethanol, 4-fluoro-alpha,alpha-dimethyl- | alpha,alpha-Dimethyl-4-fluorobenzyl alcohol | alpha,alpha-dimethyl4-fluorobenzyl alcohol | QURXIISLVHJNGB-UHFFFAOYSA-

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

488190855

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190855

Sorrisi canonici

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

IUPAC Name

2-(4-fluorophenyl)propan-2-ol

InChIKey

QURXIISLVHJNGB-UHFFFAOYSA-N

INCHI

1S/C9H11FO/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6,11H,1-2H3

Isomeri SMILES

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

Peso molecolare

154.18

Reaxy-Rn

2325874

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2325874&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Fluorobenzenes Aryl fluorides Tertiary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

• Solubilità: Hydrolyzes in water.
• Sensibilità: Heat sensitive
• Indice di rifrazione: 1.50
• Punto di infiammabilità (°C): 102 °C
• Punto di ebollizione (°C): 61 °C
• Peso molecolare: 154.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 154.079 Da
• Monoisotopic Mass: 154.079 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• 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

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 402-41-5, the molecular formula is C9H11FO, and the molecular weight is 154.18 g/mol. InChIKey QURXIISLVHJNGB-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.