9,10-Dihydrophenanthrene - ≥95% , CAS No.776-35-2

CAS: 776-35-2 Cat. No.: D120010 Peso molecular: 180.25 Beilstein Registry Number: 1907655 Número EC: 212-278-2

GRADE & PURITY ≥95%

Synonyms

D89679 | MFCD00001164 | NSC 60018 | SB66447 | 9,10-Dihydrophenanthrene, 94% | BRM9TU2F34 | EINECS 212-278-2 | DTXSID20228264 | UNII-BRM9TU2F34 | Q27274840 | 9,10-DIHYDROPHENANTHRENE | 9,10-dihydro-phenanthrene | AKOS004904703 | FT-0600670 | A839150 | D055

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

D89679 | MFCD00001164 | NSC 60018 | SB66447 | 9, 10-Dihydrophenanthrene, 94% | BRM9TU2F34 | EINECS 212-278-2 | DTXSID20228264 | UNII-BRM9TU2F34 | Q27274840 | 9, 10-DIHYDROPHENANTHRENE | 9, 10-dihydro-phenanthrene | AKOS004904703 | FT-0600670 | A839150 | D055

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488181783
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181783
• Sonrisas canónicas: C1CC2=CC=CC=C2C3=CC=CC=C31
• IUPAC Name: 9,10-dihydrophenanthrene
• InChIKey: XXPBFNVKTVJZKF-UHFFFAOYSA-N
• INCHI: 1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
• Isómeros SMILES: C1CC2=CC=CC=C2C3=CC=CC=C31
• WGK Alemania: 3
• Peso molecular: 180.25
• Beilstein: 1907655
• Reaxy-Rn: 1907655
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907655&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenanthrenes and derivatives
      • Subclass Hydrophenanthrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Hydrophenanthrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrophenanthrenes
• Alternative Parents: Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydrophenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation.
• 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)

HL-60 (67320 Activities)

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

THP-1 (11052 Activities)

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

HCT-116 (91556 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 32°C
• Punto de ebullición (°C): 168-169 °C/15 mmHg (lit.)
• Punto de fusión (°C): 30-35 °C (lit.)
• Peso molecular: 180.240 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 180.094 Da
• Monoisotopic Mass: 180.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174.000
• 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. Niu Menglong, Pan Liuyi, Ji Panpan, Liu Ning, Ge Yiqing, Niu Ben, Ma Baoqi.  (2024)  A preliminary study on the co-hydrogenation process of coal tar and bio-oil.  Reaction Kinetics Mechanisms and Catalysis,  137  (3): (1667-1682).  [PMID:] [10.1007/s11144-024-02614-0]