2-Chloro-2-methylpropane - Standard for GC, ≥99.5% , CAS No.507-20-0

CAS: 507-20-0 Cat. No.: C104796 Molecular Weight: 92.57 Beilstein Registry Number: 1730872 EC Number: 208-066-4

GRADE & PURITY Standard for GC, ≥99.5%

Synonyms

2-Chloro-2-methylpropane|507-20-0|tert-Butyl chloride|Propane, 2-chloro-2-methyl-|T-BUTYL CHLORIDE|tert-Butylchloride|Trimethylchloromethane|Chlorotrimethylmethane|2-Chloroisobutane|t-Butylchloride|2-Methyl-2-chloropropane|2-Methyl-2-propyl chloride|Terti

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

2-Chloro-2-methylpropane | 507-20-0 | tert-Butyl chloride | Propane, 2-chloro-2-methyl- | T-BUTYL CHLORIDE | tert-Butylchloride | Trimethylchloromethane | Chlorotrimethylmethane | 2-Chloroisobutane | t-Butylchloride | 2-Methyl-2-chloropropane | 2-Methyl-2-propyl chloride | Terti

Specifications & Purity

Standard for GC, ≥99.5%

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Standard for GC

Purity

≥99.5%

Names and Identifiers

• Pubchem Sid: 504751963
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751963
• Canonical Smiles: CC(C)(C)Cl
• IUPAC Name: 2-chloro-2-methylpropane
• InChIKey: NBRKLOOSMBRFMH-UHFFFAOYSA-N
• INCHI: 1S/C4H9Cl/c1-4(2,3)5/h1-3H3
• Isomeric SMILES: CC(C)(C)Cl
• WGK Germany: 1
• RTECS: TX5040000
• UN Number: 1127
• Molecular Weight: 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
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Refractive Index: 1.38686
• Flash Point(°F): -14.8 °F - closed cup
• Flash Point(°C): -26 °C - closed cup
• Boil Point(°C): 51-52 °C (lit.)
• Melt Point(°C): −25 °C (lit.)
• Molecular Weight: 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

References

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]