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

CAS: 112-52-7 Cat. No.: C110969 分子式: C₁₂H₂₅Cl 分子量: 204.78 Beilstein Registry Number: 635778 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488180725

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180725

カノニカル・スマイル

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

異性体SMILES

CCCCCCCCCCCCCl

WGKドイツ

3

UN番号

3265

包装グループ

I

分子量

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
    • 分類 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water, soluble in benzene, easily soluble in ethanol
• 融点（°C）: -9 °C
• 屈折率: 1.44
• 引火点（°C）: 132 °C
• 沸点（°C）: 260 °C
• 融点（°C）: -9 °C
• 分子量: 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