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

CAS: 776-35-2 Cat. No.: D120010 Molecular Weight: 180.25 Beilstein Registry Number: 1907655 EC Number: 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

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

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488181783
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181783
• Canonical Smiles: 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
• Isomeric SMILES: C1CC2=CC=CC=C2C3=CC=CC=C31
• WGK Germany: 3
• Molecular Weight: 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
    • Class Phenanthrenes and derivatives
      • Subclass Hydrophenanthrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Flash Point(°F): 230 °F
• Flash Point(°C): 32°C
• Boil Point(°C): 168-169 °C/15 mmHg (lit.)
• Melt Point(°C): 30-35 °C (lit.)
• Molecular Weight: 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

References

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]