1-Chlorododecane - ≥98% , CAS No.112-52-7

CAS: 112-52-7 Cat. No.: C110969 Peso molecular: 204.78 Beilstein Registry Number: 635778 Número EC: 203-981-5

GRADE & PURITY ≥98%

Synonyms

AKOS009156635 | Q24736563 | NCGC00257206-01 | Tox21_303224 | NCGC00091867-02 | DTXSID0025492 | E75855 | InChI=1/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H | 1-chloranyldodecane | Dodecane, 1-chloro- | 1-Chlorododecane, >=99.5% (GC) | 1-DODECYL CHL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS009156635 | Q24736563 | NCGC00257206-01 | Tox21_303224 | NCGC00091867-02 | DTXSID0025492 | E75855 | InChI=1/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2, 1H | 1-chloranyldodecane | Dodecane, 1-chloro- | 1-Chlorododecane, >=99.5% (GC) | 1-DODECYL CHL

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180725
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180725
• Sonrisas canónicas: CCCCCCCCCCCCCl
• IUPAC Name: 1-chlorododecane
• InChIKey: YAYNEUUHHLGGAH-UHFFFAOYSA-N
• INCHI: 1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
• Isómeros SMILES: CCCCCCCCCCCCCl
• WGK Alemania: 3
• Número ONU: 3265
• Grupo de embalaje: I
• Peso molecular: 204.78
• Beilstein: 635778
• Reaxy-Rn: 635778
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635778&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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in benzene, easily soluble in ethanol
• Punto de congelación (°C): -9 °C
• Índice de refracción: 1.44
• Punto de inflamación (°C): 132 °C
• Punto de ebullición (°C): 260 °C
• Punto de fusión (°C): -9 °C
• Peso molecular: 204.780 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 204.164 Da
• Monoisotopic Mass: 204.164 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 81.200
• 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

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