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

CAS: 513-36-0 Cat. No.: C106087 Peso molecular: 92.57 Beilstein Registry Number: 1124 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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

≥98%

Nombres e identificadores

• Pubchem Sid: 504751967
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751967
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(C)CCl
• WGK Alemania: 3
• Número ONU: 1127
• Grupo de embalaje: II
• Peso molecular: 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
    • 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: Soluble in water (0.028 mg/ml at 20 °C), alcohol, diethyl ether, and Ether.
• Índice de refracción: 1.3984
• Punto de inflamación (°C): -6°C
• Punto de ebullición (°C): 68-69°C
• Punto de fusión (°C): -131°C
• Peso molecular: 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

Referencias

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]