Phenanthrene | CAS#85-01-8 | PAH

MedKoo Cat#: 591683 | Name: Phenanthrene

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Phenanthrene is a polycyclic aromatic hydrocarbon (PAH). It is found in fossil fuels and produced during the combustion of organic material. Phenanthrene accumulates in the environment, is toxic to aquatic species, and is considered a pollutant. It has been used as an intermediate in the synthesis of certain pesticides, plastics, and steroids.

Chemical Structure

Phenanthrene

CAS#85-01-8

Theoretical Analysis

MedKoo Cat#: 591683

Name: Phenanthrene

CAS#: 85-01-8

Chemical Formula: C14H10

Exact Mass: 178.0783

Molecular Weight: 178.23

Elemental Analysis: C, 94.34; H, 5.66

Price and Availability

Size	Price	Availability
25g	USD 210.00	2 Weeks
50g	USD 340.00	2 Weeks
100g	USD 540.00	2 Weeks
250g	USD 840.00	2 Weeks

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Related CAS #

No Data

Synonym

Phenanthrene; NSC 26256; NSC-26256; NSC26256; [3]Helicene; [3] Helicene; [3]-Helicene; Ravatite;

IUPAC/Chemical Name

Phenanthrene

InChi Key

YNPNZTXNASCQKK-UHFFFAOYSA-N

InChi Code

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

SMILES Code

C12=CC=CC=C1C=CC3=CC=CC=C23

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	DMSO:PBS (pH 7.2) (1:2)	0.3	1.68
	Ethanol	20.0	112.21
	DMF	30.0	168.32
	DMSO	30.0	168.32

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 178.23 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Agrawal N, Kumar V, Shahi SK. Biodegradation and detoxification of phenanthrene in in vitro and in vivo conditions by a newly isolated ligninolytic fungus Coriolopsis byrsina strain APC5 and characterization of their metabolites for environmental safety. Environ Sci Pollut Res Int. 2021 Jul 6. doi: 10.1007/s11356-021-15271-w. Epub ahead of print. PMID: 34231140. 2: Xia M, Zhang Y, Gao H, Liu Y, Wu X, Gao W. [Effect of isopentenyl pyrophosphate translocation on the biosynthesis of triptolide]. Sheng Wu Gong Cheng Xue Bao. 2021 Jun 25;37(6):2039-2049. Chinese. doi: 10.13345/j.cjb.200752. PMID: 34227293. 3: Gearhart-Serna LM, Tacam M, Slotkin TA, Devi GR. Analysis of polycyclic aromatic hydrocarbon intake in the US adult population from NHANES 2005-2014 identifies vulnerable subpopulations, suggests interaction between tobacco smoke exposure and sociodemographic factors. Environ Res. 2021 Jun 30:111614. doi: 10.1016/j.envres.2021.111614. Epub ahead of print. PMID: 34216610. 4: Bao Z, Chen Z, Qi Z, Wang G, Cai Z. [Adsorption mechanism of typical monohydroxyphenanthrene on polyvinyl chloride microplastics]. Se Pu. 2021 Aug;39(8):870-877. Chinese. doi: 10.3724/SP.J.1123.2020.09005. PMID: 34212587. 5: Wu W, Huang Y, Lin D, Yang K. Sorption mechanism of naphthalene by diesel soot: Insight from displacement with phenanthrene/p-nitrophenol. J Environ Sci (China). 2021 Aug;106:136-146. doi: 10.1016/j.jes.2021.01.017. Epub 2021 Feb 1. PMID: 34210429. 6: Anjalikrishna PK, Gadre SR, Suresh CH. Antiaromaticity-Aromaticity Interplay in Fused Benzenoid Systems Using Molecular Electrostatic Potential Topology. J Phys Chem A. 2021 Jul 1. doi: 10.1021/acs.jpca.1c04286. Epub ahead of print. PMID: 34210140. 7: Ausuri J, Vitale GA, Coppola D, Palma Esposito F, Buonocore C, de Pascale D. Assessment of the Degradation Potential and Genomic Insights towards Phenanthrene by Dietzia psychralcaliphila JI1D. Microorganisms. 2021 Jun 19;9(6):1327. doi: 10.3390/microorganisms9061327. PMID: 34205451; PMCID: PMC8235520. 8: Swe HN, Sritularak B, Rojnuckarin P, Luechapudiporn R. Inhibitory Mechanisms of Lusianthridin on Human Platelet Aggregation. Int J Mol Sci. 2021 Jun 25;22(13):6846. doi: 10.3390/ijms22136846. PMID: 34202163. 9: Lim CT, Tan KW, Wu M, Ulferts R, Armstrong LA, Ozono E, Drury LS, Milligan JC, Zeisner TU, Zeng J, Weissmann F, Canal B, Bineva-Todd G, Howell M, O'Reilly N, Beale R, Kulathu Y, Labib K, Diffley JFX. Identifying SARS-CoV-2 antiviral compounds by screening for small molecule inhibitors of Nsp3 papain-like protease. Biochem J. 2021 Jul 16;478(13):2517-2531. doi: 10.1042/BCJ20210244. PMID: 34198325. 10: Oji-Zurmeyer J, Ortner C, Klein KU, Putz G, Jochberger S. Neuroaxiale Gabe von Morphin nach Sectio caesarea: ein Update [Neuraxial Morphine for Postoperative Analgesia after Caesarean Deliveries]. Anasthesiol Intensivmed Notfallmed Schmerzther. 2021 Jun;56(6):439-447. German. doi: 10.1055/a-1204-5169. Epub 2021 Jun 29. PMID: 34187076. 11: De Buyck PJ, Matviichuk O, Dumoulin A, Rousseau DPL, Van Hulle SWH. Roof runoff contamination: Establishing material-pollutant relationships and material benchmarking based on laboratory leaching tests. Chemosphere. 2021 Jun 8;283:131112. doi: 10.1016/j.chemosphere.2021.131112. Epub ahead of print. PMID: 34182629. 12: Lanham MNS, Bockelman CK, Elsenbeck CMJ, McCriskin LBJ, Robinson MPSH, Foster MJN, Rumley MRJCL. Opioid Prescribing Patterns and Patient Satisfaction with Care. J Surg Orthop Adv. 2021 Summer;30(2):85-89. PMID: 34181523. 13: Dias GG, Paz ERS, Nunes MP, Carvalho RL, Rodrigues MO, Rodembusch FS, da Silva Júnior EN. Imidazoles and Oxazoles from Lapachones and Phenanthrene-9,10-dione: A Journey through their Synthesis, Biological Studies, and Optical Applications. Chem Rec. 2021 Jun 25. doi: 10.1002/tcr.202100138. Epub ahead of print. PMID: 34170622. 14: Zhu H, Martinez-Moral MP, Kannan K. Variability in urinary biomarkers of human exposure to polycyclic aromatic hydrocarbons and its association with oxidative stress. Environ Int. 2021 Jun 21;156:106720. doi: 10.1016/j.envint.2021.106720. Epub ahead of print. PMID: 34166875. 15: Liu J, He C, Tang Y, Liu W, Xu Y, Li Z, Qin X, Jin S. Cremastra appendiculata (D.Don) Makino, a potential anti-tumor traditional Chinese medicine: Review. J Ethnopharmacol. 2021 Jun 21:114357. doi: 10.1016/j.jep.2021.114357. Epub ahead of print. PMID: 34166737. 16: Yang J, Smith MC, Prendergast MB, Chu TC, Green WH. C14H10 polycyclic aromatic hydrocarbon formation by acetylene addition to naphthalenyl radicals observed. Phys Chem Chem Phys. 2021 Jul 7;23(26):14325-14339. doi: 10.1039/d1cp01565f. PMID: 34165136. 17: Ghosh A, Csókás D, Budanović M, Webster RD, Pápai I, Stuparu MC. Synthesis of azahelicenes through Mallory reaction of imine precursors: corannulene substrates provide an exception to the rule in oxidative photocyclizations of diarylethenes. Chem Sci. 2021 Jan 25;12(11):3977-3983. doi: 10.1039/d0sc06730j. PMID: 34163668; PMCID: PMC8179518. 18: Lu X, An D, Han Y, Zou Y, Qiao Y, Zhang N, Chang D, Wu J, Liu Y. A cyclopenta-fused dibenzo[b,d]thiophene-co-phenanthrene macrocyclic tetraradicaloid. Chem Sci. 2021 Jan 26;12(11):3952-3957. doi: 10.1039/d0sc06185a. PMID: 34163665; PMCID: PMC8179481. 19: Feng J, Feng J, Loussala HM, Han S, Ji X, Li C, Sun H, Sun M. Dendritic mesoporous silica nanospheres@porous carbon for in-tube solid-phase microextraction to detect polycyclic aromatic hydrocarbons in tea beverages. Food Chem. 2021 Jun 16;364:130379. doi: 10.1016/j.foodchem.2021.130379. Epub ahead of print. PMID: 34161912. 20: Mollahosseini A, Rastegari M, Panahi-Dehghan M. Electrospun Polyacrylonitrile/Clinoptilolite Coating for SPME of PAHs from Water Samples. J Chromatogr Sci. 2021 Jun 22:bmab082. doi: 10.1093/chromsci/bmab082. Epub ahead of print. PMID: 34159366.