1-Chloro-2-methylbutane - ≥95% , CAS No.616-13-7

CAS: 616-13-7 Cat. No.: C153548 Formula: C₅H₁₁Cl Peso molecolare: 106.59 Numero EC: 210-466-9

GRADE & PURITY ≥95%

Synonyms

D89411 | 1-chloranyl-2-methyl-butane | 1-Chloro-2-methylbutane, 96% | 1-Chloro-2-methylbutane | Butane, 1-chloro-2-methyl-, (S)- | FT-0632576 | BS-44170 | A833332 | EN300-60819 | AKOS009157242 | DTXSID10883245 | EINECS 210-466-9 | MFCD00039366 | SCHEMBL78

Storage

Room temperature

Shipped In

Normal

Panoramica

Product Describtion:

1-Chloro-2-methylbutane is a halogenated organic building block. It can be synthesized by employing 2-methylbutanol as starting reagent. Grignard reagent derived from (+)-1-chloro-2-methylbutane may be employed for the preparation of partially optically active (-)-alkylphenylcarbinols and partially optically active secondary carbinols. Infrared and Raman spectra of its optically active form (+)(S)-1-chloro-2-methylbutane in various phases (liquid, glass and crystal) have been evaluated.

Specifications

Sinonimi

D89411 | 1-chloranyl-2-methyl-butane | 1-Chloro-2-methylbutane, 96% | 1-Chloro-2-methylbutane | Butane, 1-chloro-2-methyl-, (S)- | FT-0632576 | BS-44170 | A833332 | EN300-60819 | AKOS009157242 | DTXSID10883245 | EINECS 210-466-9 | MFCD00039366 | SCHEMBL78

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504752241

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752241

Sorrisi canonici

CCC(C)CCl

IUPAC Name

1-chloro-2-methylbutane

InChIKey

IWAKWOFEHSYKSI-UHFFFAOYSA-N

INCHI

1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3

Isomeri SMILES

CCC(C)CCl

WGK Germania

3

Peso molecolare

106.59

Reaxy-Rn

1445990

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1445990&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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: 1.41
• Punto di infiammabilità (°F): 32 °F
• Punto di infiammabilità (°C): 0°C(lit.)
• Punto di ebollizione (°C): 99°C(lit.)
• Peso molecolare: 106.590 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 106.055 Da
• Monoisotopic Mass: 106.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 27.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥95% purity (chemical assay). 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 616-13-7, the molecular formula is C5H11Cl, and the molecular weight is 106.59 g/mol. InChIKey IWAKWOFEHSYKSI-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

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.