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

CAS: 507-20-0 Cat. No.: C104795 Peso molecular: 92.57 Beilstein Registry Number: 1730872 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)Cl
• IUPAC Name: 2-chloro-2-methylpropane
• InChIKey: NBRKLOOSMBRFMH-UHFFFAOYSA-N
• INCHI: 1S/C4H9Cl/c1-4(2,3)5/h1-3H3
• Isómeros SMILES: CC(C)(C)Cl
• WGK Alemania: 1
• RTECS: TX5040000
• Número ONU: 1127
• Peso molecular: 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
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with alcohol, benzene, chloroform and ether. Slightly miscible with water.
• Sensibilidad: light sensitive,Moisture sensitive
• Índice de refracción: 1.38686
• Punto de inflamación (°F): -14.8 °F - closed cup
• Punto de inflamación (°C): -26 °C - closed cup
• Punto de ebullición (°C): 51-52 °C (lit.)
• Punto de fusión (°C): −25 °C (lit.)
• Peso molecular: 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

Referencias

1. Yang Han, Yuanyuan Liu, Shiwei Wang, Xuehui Ge, Xiaoda Wang, Ting Qiu.  (2021)  High-efficiency and safe synthesis of tonalid via two Friedel-Crafts reactions in continuous-flow microreactors.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2021.09.028]

2. Yang Shi-Xuan, Fan Zi-Yu, Zhang Feng-Yu, Li Si-Hao, Wu Yi-Xian.  (2019)  Functionalized Copolymers of Isobutylene with Vinyl Phenol: Synthesis, Characterization, and Property.  CHINESE JOURNAL OF POLYMER SCIENCE,  37  (9): (919-929).  [PMID:] [10.1007/s10118-019-2329-6]

3. He-Ying Wang, Feng-Yu Zhang, Si-Hao Li, Zi-Yang Song, Yang Wang, Yi-Xian Wu.  (2025)  Highly efficient synthesis of random isobutylene/alkenyl styrene copolymers with pendant vinyl groups via cationic polymerization for versatile functionalization.  Polymer Chemistry,  16  (9): (1044-1056).  [PMID:] [10.1039/D4PY01242A]