Benzotrifluoride - ≥99% , CAS No.98-08-8

CAS: 98-08-8 Cat. No.: T106030 Formula: C₇H₅F₃ Peso molecolare: 146.11 Beilstein Registry Number: 1906908 Numero EC: 202-635-0 PubChem CID: 7368

QUALITÀ & PUREZZA ≥99%

Synonyms

Trifluoromethylbenzene|Phenylfluoroform|(Trifluoromethyl)benzene|alpha,alpha,alpha-Trifluorotoluene|Benzenyl fluoride|BENZOTRIFLUORIDE|PhCF3|USAF MA-16|Benzene, (trifluoromethyl)-|a,a,a-Trifluorotoluene|Benzylidyne fluoride

Storage

Room temperature

Shipped In

FedEx DG Service

Panoramica

An alternative solvent to dichloromethane, where it has a higher bp and lower toxicity.

Specifiche

Sinonimi

Trifluoromethylbenzene | Phenylfluoroform | (Trifluoromethyl)benzene | alpha,alpha,alpha-Trifluorotoluene | Benzenyl fluoride | BENZOTRIFLUORIDE | PhCF3 | USAF MA-16 | Benzene, (trifluoromethyl)- | a,a,a-Trifluorotoluene | Benzylidyne fluoride

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488180397

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180397

Sorrisi canonici

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

IUPAC Name

trifluoromethylbenzene

InChIKey

GETTZEONDQJALK-UHFFFAOYSA-N

INCHI

1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

Isomeri SMILES

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

WGK Germania

3

RTECS

XT9450000

PubChem CID

7368

Numero UN

2338

Gruppo di imballaggio

II

Peso molecolare

146.11

Beilstein

1906908

Reaxy-Rn

1906908

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Organofluorides Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• External Descriptors: (trifluoromethyl)benzenes - fluorohydrocarbon

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

Obiettivi associati (umani)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water at 20°C0.45g/L.
• Indice di rifrazione: 1.413-1.415
• Punto di infiammabilità (°C): 12℃
• Punto di ebollizione (°C): 102°C
• Punto di fusione (°C): -29°C(lit.)
• Peso molecolare: 146.110 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 146.034 Da
• Monoisotopic Mass: 146.034 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.900
• 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

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 room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 98-08-8, the molecular formula is C7H5F3, and the molecular weight is 146.11 g/mol. InChIKey GETTZEONDQJALK-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.