2-Chlorostyrene - ≥97%, stabilized with 100ppm p-tert-butyl catechol , CAS No.2039-87-4

CAS: 2039-87-4 Cat. No.: C492343 Summenformel: H₂C=CHC₆H₄Cl Molekulargewicht: 138.59 Beilstein Registry Number: 2038863 EG-Nummer: 218-026-8

GRADE & PURITY ≥97%, stabilized with 100ppm p-tert-butyl catechol

Synonyms

1-Chloro-2-vinylbenzene | 1-chloro-2-vinyl-benzene | SCHEMBL15848 | 1-chloro-2-ethenylbenzene | O-CHLOROSTYRENE [HSDB] | CCRIS 4598 | MFCD00000567 | 2-Chlorostyrene, 97%, contains 0.1% hydroquinone as stabilizer | HSDB 3450 | Z957339910 | ZA43R4Q315 | FT-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

1-Chloro-2-vinylbenzene | 1-chloro-2-vinyl-benzene | SCHEMBL15848 | 1-chloro-2-ethenylbenzene | O-CHLOROSTYRENE [HSDB] | CCRIS 4598 | MFCD00000567 | 2-Chlorostyrene, 97%, contains 0.1% hydroquinone as stabilizer | HSDB 3450 | Z957339910 | ZA43R4Q315 | FT-

Spezifikationen & Reinheit

≥97%, stabilized with 100ppm p-tert-butyl catechol

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488182042

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182042

Kanonisches Lächeln

C=CC1=CC=CC=C1Cl

IUPAC Name

1-chloro-2-ethenylbenzene

InChIKey

ISRGONDNXBCDBM-UHFFFAOYSA-N

INCHI

1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2

Isomere SMILES

C=CC1=CC=CC=C1Cl

WGK Deutschland

3

RTECS

WL4160000

UN-Nummer

1993

Verpackungsgruppe

I

Molekulargewicht

138.59

Beilstein

2038863

Reaxy-Rn

2038863

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038863&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: Heat sensitive; Sensitive to light
• Brechungsindex: 1.565
• Flammpunkt (°F): 58°C
• Flammpunkt (°C): 58°C
• Siedepunkt (°C): 187°C
• Schmelzpunkt (°C): -63°C
• Molekulargewicht: 138.590 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 138.024 Da
• Monoisotopic Mass: 138.024 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.700
• 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?

This product is supplied at ≥97% 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 2039-87-4, the molecular formula is C8H7Cl, and the molecular weight is 138.59 g/mol. InChIKey ISRGONDNXBCDBM-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.