Name: Phenanthrene - sublimed grade, ≥99.5% , CAS No.85-01-8
Brand: Aladdin Scientific
SKU: P109249
Availability: InStock

Phenanthrene - sublimed grade, ≥99.5% , CAS No.85-01-8

CAS: 85-01-8 Cat. No.: P109249 Formula: C₁₄H₁₀ Molecular Weight: 178.23 Beilstein Registry Number: 1905428 EC Number: 201-581-5

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Phenanthrene - sublimed grade, ≥99.5% CAS No(85-01-8) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Sublimed grade ? ≥99.5%

Synonyms

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications Names and Identifiers Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product Solution Calculators Reviews

Specifications

Synonyms

Specifications & Purity

sublimed grade, ≥99.5%

Storage

Argon charged,Room temperature

Shipped In

Normal

Grade

Sublimed grade

Purity

≥99.5%

Names and Identifiers

Pubchem Sid

504750447

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750447

Canonical Smiles

C1=CC=C2C(=C1)C=CC3=CC=CC=C32

IUPAC Name

phenanthrene

InChIKey

YNPNZTXNASCQKK-UHFFFAOYSA-N

INCHI

1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C32

WGK Germany

Molecular Weight

178.23

Beilstein

1905428

Reaxy-Rn

1905428

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905428&ln=

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrenes and derivatives
Alternative Parents	Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors	a ring
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

3D Structure

Associated Targets(Human)

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

HL-60 (67320 Activities)

Lot Number	Certificate Type	Date	Item
J2610065	Certificate of Analysis	Oct 15, 2026	P109249
J2109494	Certificate of Analysis	Apr 03, 2025	P109249
D2324745	Certificate of Analysis	Oct 28, 2022	P109249
K2222651	Certificate of Analysis	Oct 28, 2022	P109249
K2222653	Certificate of Analysis	Oct 28, 2022	P109249
K2222654	Certificate of Analysis	Oct 28, 2022	P109249
K2222655	Certificate of Analysis	Oct 28, 2022	P109249

Flash Point(°F)	-0.4℉
Flash Point(°C)	-18 °C
Boil Point(°C)	340°C
Melt Point(°C)	100°C
Molecular Weight	178.230 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	178.078 Da
Monoisotopic Mass	178.078 Da
Topological Polar Surface Area	0.000 Å²
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

Phenanthrene - sublimed grade, ≥99.5% , CAS No.85-01-8

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