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Phenanthrene chemical structure, C14H10, CAS 85-01-8
2D chemical structure

Key facts

What buyers check first

Appearance
Monoclinic plates from alcohol
Melting point
99 °C
Boiling point
338.4 °C
Density
1.179 at 25 °C
Flash point
171 °C
HS code
290290
Category
Aromatic building blocks
Illustrative photo, closed jumbo bulk bags in a warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Phenanthrene?

Plain description, key identifiers and synonyms

Phenanthrene is a polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'. It has a role as a mouse metabolite and an environmental contaminant. It is a member of phenanthrenes, an ortho-fused polycyclic arene and an ortho-fused tricyclic hydrocarbon.

Phenanthrene is a polycyclic aromatic hydrocarbon composed of three fused benzene rings.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
phenanthrene
CAS number
85-01-8 CAS number cross-checkedOther or deprecated CAS: 1173018-81-9
EC numbers
201-581-5, 695-039-9
Molecular formula
C14H10
UNII
448J8E5BST
MDL number
MFCD00001168
InChIKey
YNPNZTXNASCQKK-UHFFFAOYSA-N
InChI
InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C=CC3=CC=CC=C32

Synonyms

  • Phenanthren
  • Phenanthracene
  • Phenanthrin
  • Ravatite
  • Phenantrin
  • (3)Helicene
  • Phenanthrene, pure
  • PEY
  • 9-Phenanthrene
  • phenanthrene-ring
  • Phenanthrene-13C2
  • Phenanthrene, 98%
  • Coal tar pitch volatiles: phenanthrene
  • Phenanthrene (Standard)
  • 9,10-Dehydrophenanthrene
  • Phenanthrene (purified by sublimation)
  • Phenanthrene 200 |Ig/mL in Isooctane
  • Phenanthrene 10 |Ig/mL in Cyclohexane
  • Phenanthrene, zone-refined, >=99.5%
  • Phenanthrene 10 |Ig/mL in Acetonitrile
  • Phenanthrene 200 microg/mL in Isooctane
  • Phenanthrene, sublimed grade, >=99.5%
  • Phenanthrene 10 microg/mL in Cyclohexane
  • Phenanthrene 100 |Ig/mL in Acetonitrile
  • Phenanthrene 10 microg/mL in Acetonitrile
Show all 30 synonyms
  • Phenanthrene 100 microg/mL in Acetonitrile
  • Phenanthrene Zone Refined (number of passes:30)
  • Phenanthrene, certified reference material, TraceCERT(R)
  • Phenanthrene, purum, for fluorescence, >=97.0% (HPLC)
  • Phenanthrene, analytical standard, for environmental analysis

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Monoclinic plates from alcoholexp.
Odour
Faint aromatic odorexp.
Melting point
99 °Cexp.
Boiling point
338.4 °Cexp.
Density
1.179 at 25 °Cexp.
Flash point
171 °Cexp.
Solubility
In water, 1.10 mg/L at 25 deg (average of 14 measured values)exp.
Vapour pressure
1.21 × 10⁻⁴ mm Hg at 25 °Cexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
178.23 g/molcalc.
Exact mass
178.0783 Dacalc.
LogP (octanol/water)
3.99calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
14calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)ccc1ccccc12

c1ccc2c(c1)ccc1ccccc12

3 rings, 14 atoms. This chemical is the scaffold itself.

947 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment
110NFPA 704 rating

Hazard statements

  • H302Harmful if swallowed.
  • H317May cause an allergic skin reaction.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (14)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Phenanthrene suppliers

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All 102 suppliers
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Where suppliers are based

102 suppliers in 12 countries

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Phenanthrene price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Dyestuffs, explosives, synthesis of drugs, biochemical research, manufacturing phenanthrenequinone.

Phenanthrene forms the basis for production of 9,10-phenanthrenequinone and 2,2'-diphenic acid. It can be used to synthesize anthracene via the isomerization product of sym-octahydrophenanthrene.

Industrial uses: Preservative.

Roles

  • animal metabolite
  • environmental contaminant
  • eukaryotic metabolite
  • mammalian metabolite
  • metabolite
  • mouse metabolite

How it is made

Phenanthrene is the second most abundant coal tar constituent next to naphthalene at ca. 5%. Coal tar distillation concentrates phenanthrene in the anthracene oil fraction. Once anthracene residues have been crystallized and filtered off, phenanthrene is recovered from the filtrate. Alternatively, it can be recovered from the top fraction of crude anthracene distillation by redistillation. Technically pure grades of phenanthrene are obtained by sulfuric acid refining and recrystallization from methanol.

Read more

Alternatively, purification can also be accomplished by repeated rectification of the phenanthrene fraction. The accompanying substances can be separated by partial sulfonation or by partial condensation with formaldehyde and hydrogen chloride. The most persistent accompanying substance, diphenylene sulfide, can be completely removed by treating the melt with sodium and maleic anhydride.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Phenanthrene is traded under.

HS 2902.90Indicative HS code

Cyclic hydrocarbons, other

World exports in 2024
$612M
−6.1% vs 2023, imports $670M
2019 to 2024
Top exporters
  1. China28.0%
  2. Germany13.9%
  3. India * partner reported12.6%
Top importers
  1. Germany11.1%
  2. United States10.6%
  3. South Korea8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Phenanthrene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Phenanthrene, based on the data on this page

What is Phenanthrene?

Phenanthrene is a polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'. It has a role as a mouse metabolite and an environmental contaminant.

What is the CAS number of Phenanthrene?

The CAS registry number of Phenanthrene is 85-01-8. Other or deprecated CAS numbers: 1173018-81-9.

What is the molecular formula and weight of Phenanthrene?

The molecular formula of Phenanthrene is C14H10 and its molar mass is 178.23 g/mol.

What is Phenanthrene used for?

Dyestuffs, explosives, synthesis of drugs, biochemical research, manufacturing phenanthrenequinone. Phenanthrene forms the basis for production of 9,10-phenanthrenequinone and 2,2'-diphenic acid. It can be used to synthesize anthracene via the isomerization product of sym-octahydrophenanthrene.

Is Phenanthrene hazardous?

Phenanthrene carries the GHS signal word "Warning". Main hazards: harmful if swallowed, may cause an allergic skin reaction, very toxic to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phenanthrene?

Phenanthrene is usually classified under HS code 290290 (Cyclic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phenanthrene?

CompoundList lists 102 suppliers of Phenanthrene in United States, China, United Kingdom, Germany and 8 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Phenanthrene in India?

2 suppliers in India list Phenanthrene on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Phenanthrene?

Suppliers quote Phenanthrene on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Phenanthrene

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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