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

CAS: 513-36-0 Cat. No.: C106087 Summenformel: (CH₃)₂CHCH₂Cl Molekulargewicht: 92.57 Beilstein Registry Number: 1124 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504751967
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751967
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C)CCl
• WGK Deutschland: 3
• UN-Nummer: 1127
• Verpackungsgruppe: II
• Molekulargewicht: 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
    • Klasse Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (0.028 mg/ml at 20 °C), alcohol, diethyl ether, and Ether.
• Brechungsindex: 1.3984
• Flammpunkt (°C): -6°C
• Siedepunkt (°C): 68-69°C
• Schmelzpunkt (°C): -131°C
• Molekulargewicht: 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

Referenzen

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]