1-Chloro-2-methyl-2-propanol - ≥98%(GC) , CAS No.558-42-9

CAS: 558-42-9 Cat. No.: C153898 Peso molecular: 108.57 Beilstein Registry Number: 1697050 Número EC: 209-196-4

GRADE & PURITY ≥98%(GC)

Synonyms

1-chloro-2-hydroxy-2-methylpropane | DTXSID20204381 | 1-chloro-2-methyl propan-2-ol | EINECS 209-196-4 | 1-chloro-2-methyl-propan-2-ol | 1-Chloro-2-methylpropan-2-ol | AS-31087 | 1-Chloro-2-methyl-2-propanol, 97% | EN300-93821 | JNOZGFXJZQXOSU-UHFFFAOYSA-

Storage

Room temperature

Shipped In

Normal

Descripción general

Reaction of 1-chloro-2-methyl-2-propanol on oxygen-containing Ag(110) surfaces has been investigated by synchrotron-based temperature-programmed X-ray photoelectron spectroscopy

Specifications

Sinónimos

1-chloro-2-hydroxy-2-methylpropane | DTXSID20204381 | 1-chloro-2-methyl propan-2-ol | EINECS 209-196-4 | 1-chloro-2-methyl-propan-2-ol | 1-Chloro-2-methylpropan-2-ol | AS-31087 | 1-Chloro-2-methyl-2-propanol, 97% | EN300-93821 | JNOZGFXJZQXOSU-UHFFFAOYSA-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184137
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184137
• Sonrisas canónicas: CC(C)(CCl)O
• IUPAC Name: 1-chloro-2-methylpropan-2-ol
• InChIKey: JNOZGFXJZQXOSU-UHFFFAOYSA-N
• INCHI: 1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3
• Isómeros SMILES: CC(C)(CCl)O
• WGK Alemania: 3
• Número ONU: 1987C
• Grupo de embalaje: III
• Peso molecular: 108.57
• Beilstein: 1697050
• Reaxy-Rn: 1697054
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697054&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Chlorohydrins Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Halohydrin - Chlorohydrin - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.439
• Punto de inflamación (°F): 100.4 °F
• Punto de inflamación (°C): 38°C(lit.)
• Punto de ebullición (°C): 124-128°C
• Peso molecular: 108.570 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 108.034 Da
• Monoisotopic Mass: 108.034 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 42.800
• 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