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

CAS: 513-36-0 Cat. No.: C106087 Formule: (CH₃)₂CHCH₂Cl Poids moléculaire: 92.57 Beilstein Registry Number: 1124 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504751967

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751967

Sourires canoniques

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

Isomères SMILES

CC(C)CCl

WGK Allemagne

3

Numéro ONU

1127

Groupe d'emballage

II

Poids moléculaire

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
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (0.028 mg/ml at 20 °C), alcohol, diethyl ether, and Ether.
• Indice de réfraction: 1.3984
• Point d'éclair (°C): -6°C
• Point d'ébullition (°C): 68-69°C
• Point de fusion (°C): -131°C
• Poids moléculaire: 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