2-Chloro-2-methylpropane - ≥99% , CAS No.507-20-0

CAS: 507-20-0 Cat. No.: C104795 Formule: C₄H₉Cl Poids moléculaire: 92.57 Beilstein Registry Number: 1730872 Numéro CE: 208-066-4

GRADE & PURITY ≥99%

Synonyms

EINECS 208-066-4 | Trimethylchloromethane | BRN 1730872 | 4-01-00-00288 (Beilstein Handbook Reference) | tert-Butylchloride 2-Chloro-2-methylpropane | 2-Chloro-2-methyl propane | JN2YO95TZ0 | Propane, 2-chloro-2-methyl | Propane, 2-chloro-2-methyl- | PROP

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

Vue d’ensemble

2-Chloro-2-methylpropane is an alkylating agent that is used to functionalize molecules with tert-butyl group. It serves as an effective chlorinating agent, in combination with the ionic liquid, 1-butyl-3-methylimidazolium bromide for converting alcohols into chlorides. It can also be used to prepare tert-butyl ethers by treating with corresponding alcohols.

Specifications

Synonymes

EINECS 208-066-4 | Trimethylchloromethane | BRN 1730872 | 4-01-00-00288 (Beilstein Handbook Reference) | tert-Butylchloride 2-Chloro-2-methylpropane | 2-Chloro-2-methyl propane | JN2YO95TZ0 | Propane, 2-chloro-2-methyl | Propane, 2-chloro-2-methyl- | PROP

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

508814203

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814203

Sourires canoniques

CC(C)(C)Cl

IUPAC Name

2-chloro-2-methylpropane

InChIKey

NBRKLOOSMBRFMH-UHFFFAOYSA-N

INCHI

1S/C4H9Cl/c1-4(2,3)5/h1-3H3

Isomères SMILES

CC(C)(C)Cl

WGK Allemagne

1

RTECS

TX5040000

Numéro ONU

1127

Poids moléculaire

92.57

Beilstein

1730872

Reaxy-Rn

1730872

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730872&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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with alcohol, benzene, chloroform and ether. Slightly miscible with water.
• Sensibilité: light sensitive,Moisture sensitive
• Indice de réfraction: 1.38686
• Point d'éclair (°F): -14.8 °F - closed cup
• Point d'éclair (°C): -26 °C - closed cup
• Point d'ébullition (°C): 51-52 °C (lit.)
• Point de fusion (°C): −25 °C (lit.)
• Poids moléculaire: 92.570 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 92.0393 Da
• Monoisotopic Mass: 92.0393 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 25.100
• 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