2-Chloro-2-butene - ≥96%, mixture of isomer , CAS No.4461-41-0

CAS: 4461-41-0 Cat. No.: C153915 Formula: C₄H₇Cl Peso molecolare: 90.55 Beilstein Registry Number: 1(4)785 Numero EC: 224-719-6

QUALITÀ & PUREZZA ≥96%, mixture of isomer

Synonyms

chloro-methylpropene | DSDHFHLZEFQSFM-UHFFFAOYSA-N | DTXSID601015787 | 1-Methyl-1-propenyl Chloride | 2-chloro-but-2-ene | 2-Chlorobut-2-ene

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

chloro-methylpropene | DSDHFHLZEFQSFM-UHFFFAOYSA-N | DTXSID601015787 | 1-Methyl-1-propenyl Chloride | 2-chloro-but-2-ene | 2-Chlorobut-2-ene

Specifiche e purezza

≥96%, mixture of isomer

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

504757121

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757121

Sorrisi canonici

CC=C(C)Cl

IUPAC Name

2-chlorobut-2-ene

InChIKey

DSDHFHLZEFQSFM-UHFFFAOYSA-N

INCHI

1S/C4H7Cl/c1-3-4(2)5/h3H,1-2H3

Isomeri SMILES

CC=C(C)Cl

RTECS

EM4265000

Peso molecolare

90.55

Beilstein

1(4)785

Reaxy-Rn

1719361

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719361&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Vinyl halides
      • Subclass Vinyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Vinyl halides
• Subclass: Vinyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinyl chlorides
• Alternative Parents: Chloroalkenes Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroalkene - Haloalkene - Vinyl chloride - Hydrocarbon derivative - Organochloride - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as vinyl chlorides. These are vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom.
• 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: 1.42
• Punto di infiammabilità (°C): -19°C(lit.)
• Punto di ebollizione (°C): 63°C/680mmHg(lit.)
• Peso molecolare: 90.550 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 90.0236 Da
• Monoisotopic Mass: 90.0236 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 45.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥96% 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 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 4461-41-0, the molecular formula is C4H7Cl, and the molecular weight is 90.55 g/mol. InChIKey DSDHFHLZEFQSFM-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.