3-Chlorostyrene - ≥95%, contains 0.1% TBC as stabilizer , CAS No.2039-85-2

CAS: 2039-85-2 Cat. No.: C121720 Formula: H₂C=CHC₆H₄Cl Peso molecolare: 138.59 Beilstein Registry Number: 2038489 Numero EC: 218-024-7

GRADE & PURITY ≥95%, contains 0.1% TBC as stabilizer

Synonyms

A4440 | 3-Chlorostyrene, 96%, contains 0.1% TBC as stabilizer | NSC 18602 | AKOS009157282 | Q27251328 | AMY40226 | 3-Chlorostyrene (stabilized with TBC) | meta-chlorostyrene | EINECS 218-024-7 | SY017095 | HSDB 3452 | 1-chloro-3-ethenylbenzene | 1-Chloro-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

A4440 | 3-Chlorostyrene, 96%, contains 0.1% TBC as stabilizer | NSC 18602 | AKOS009157282 | Q27251328 | AMY40226 | 3-Chlorostyrene (stabilized with TBC) | meta-chlorostyrene | EINECS 218-024-7 | SY017095 | HSDB 3452 | 1-chloro-3-ethenylbenzene | 1-Chloro-

Specifiche e purezza

≥95%, contains 0.1% TBC as stabilizer

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

508808914

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808914

Sorrisi canonici

C=CC1=CC(=CC=C1)Cl

IUPAC Name

1-chloro-3-ethenylbenzene

InChIKey

BOVQCIDBZXNFEJ-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C=CC1=CC(=CC=C1)Cl

WGK Germania

3

Peso molecolare

138.59

Beilstein

2038489

Reaxy-Rn

2038489

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038489&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.562
• Punto di infiammabilità (°F): 63°C
• Punto di infiammabilità (°C): 63°C
• Punto di ebollizione (°C): 87°C/25mmHg
• Peso molecolare: 138.590 g/mol
• XLogP3: 3.100
• 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