1-Chloro-2-methylpropane - ≥98% , CAS No.513-36-0

CAS: 513-36-0 Cat. No.: C106087 Molecular Weight: 92.57 Beilstein Registry Number: 1124 EC Number: 208-157-9

GRADE & PURITY ≥98%

Synonyms

FT-0607604 | InChI=1/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H | 1-Chloro-2-methylpropane | 1-chloro-2-methyl-propane | 2-METHYLPROPYL CHLORIDE | 1-Chloro-2-methylpropane, 98% | 2-METHYL-1-CHLOROPROPANE | 2-CHLOROMETHYLPROPANE | Q1827019 | iso-C4H9Cl | Propane, 1-ch

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Overview

The gas-solid virial co-effiicent of 1-chloro-2-methylpropane was determined. The infrared and Raman spectra of 1-chloro-2-methylpropane was studied

Specifications

Synonyms

FT-0607604 | InChI=1/C4H9Cl/c1-4(2)3-5/h4H, 3H2, 1-2H | 1-Chloro-2-methylpropane | 1-chloro-2-methyl-propane | 2-METHYLPROPYL CHLORIDE | 1-Chloro-2-methylpropane, 98% | 2-METHYL-1-CHLOROPROPANE | 2-CHLOROMETHYLPROPANE | Q1827019 | iso-C4H9Cl | Propane, 1-ch

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751967
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751967
• Canonical Smiles: CC(C)CCl
• IUPAC Name: 1-chloro-2-methylpropane
• InChIKey: QTBFPMKWQKYFLR-UHFFFAOYSA-N
• INCHI: 1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
• Isomeric SMILES: CC(C)CCl
• WGK Germany: 3
• UN Number: 1127
• Packing Group: II
• Molecular Weight: 92.57
• Beilstein: 1124
• Reaxy-Rn: 635650
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635650&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

• Solubility: Soluble in water (0.028 mg/ml at 20 °C), alcohol, diethyl ether, and Ether.
• Refractive Index: 1.3984
• Flash Point(°C): -6°C
• Boil Point(°C): 68-69°C
• Melt Point(°C): -131°C
• Molecular Weight: 92.570 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• 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: 17.600
• 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. Jing Wang, Ke Shan, Yanhua Tang, Na Wu, Nan Li.  (2023)  The Adsorption of CTC onto CFBs: A Study on Fabrication of Magnetic Cellulose/Fe3O4 Beads (CFBs) and Adsorption Kinetics.  Materials,  16  (3): (1189).  [PMID:36770196] [10.3390/ma16031189]