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Pyrene

Pyrene Structure
CAS No.
129-00-0
Chemical Name:
Pyrene
Synonyms
Pyren;Pyene;Pyrenepract;PYRENE;PTRENE;Pyreme;pyrene5;DYPR0414;Pyrene>Pyrene RS
CBNumber:
CB4853011
Molecular Formula:
C16H10
Molecular Weight:
202.25
MOL File:
129-00-0.mol
MSDS File:
SDS
Modify Date:
2024/6/4 15:29:52

Pyrene Properties

Melting point 148 °C
Boiling point 393 °C
Density 1.271
vapor pressure 180 at 25 °C (extrapolated from vapor pressures determined at higher temperatures, Tesconi andYalkowsky, 1998)
refractive index 1.8520 (estimate)
Flash point 210 °C
storage temp. room temp
solubility ethanol: soluble
pka >15 (Christensen et al., 1975)
form crystalline
Specific Gravity 1.271
color Pale yellow to yellow-greenish
Water Solubility almost insoluble
λmax 330nm(EtOH)(lit.)
Merck 14,7963
BRN 1307225
Henry's Law Constant 0.490 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)
Exposure limits OSHA: TWA 0.2 mg/m3
InChIKey BBEAQIROQSPTKN-UHFFFAOYSA-N
LogP 5.43 at 30℃ and pH5-8
CAS DataBase Reference 129-00-0(CAS DataBase Reference)
NIST Chemistry Reference Pyrene(129-00-0)
IARC 3 (Vol. Sup 7, 92) 2010
EPA Substance Registry System Pyrene (129-00-0)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS09
Signal word  Warning
Hazard statements  H410
Precautionary statements  P273-P391-P501
Hazard Codes  N,T+,T,F,Xn
Risk Statements  50/53-36/37/38-26-39/23/24/25-23/24/25-11-63-43-45-67-65-38-51/53-52/53-40
Safety Statements  60-61-45-36/37-28A-22-16-7-24/25-23-53-62-26
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  UR2450000
TSCA  Yes
HazardClass  6.1(b)
PackingGroup  III
HS Code  29349990
Toxicity LD50 orally in Rabbit: 2700 mg/kg
NFPA 704
0
1 0

Pyrene price More Price(20)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) 82648 Pyrene puriss. p.a., for fluorescence, ≥99.0% (GC) 129-00-0 1G ₹2424.9 2022-06-14 Buy
Sigma-Aldrich(India) 8.21051 Pyrene for synthesis 129-00-0 5G ₹5360 2022-06-14 Buy
Sigma-Aldrich(India) 82648 Pyrene puriss. p.a., for fluorescence, ≥99.0% (GC) 129-00-0 10G ₹12155.33 2022-06-14 Buy
Sigma-Aldrich(India) 8.21051 Pyrene for synthesis 129-00-0 50G ₹10800 2022-06-14 Buy
Sigma-Aldrich(India) 8.21051 Pyrene for synthesis 129-00-0 250G ₹46400 2022-06-14 Buy
Product number Packaging Price Buy
82648 1G ₹2424.9 Buy
8.21051 5G ₹5360 Buy
82648 10G ₹12155.33 Buy
8.21051 50G ₹10800 Buy
8.21051 250G ₹46400 Buy

Pyrene Chemical Properties,Uses,Production

Chemical Properties

Pyrene is a colorless crystalline solid when pure or pale yellow plates (impure). Polycyclic aromatic hydrocarbons (PAHs) are compounds containing multiple benzene rings and are also called polynuclear aromatic hydrocarbons. Solids and solutions have a Blue fluores- cence (Merck Index).

Physical properties

Colorless solid (tetracene impurities impart a yellow color) or monoclinic prisms crystallized from alcohol. Solutions have a slight blue fluorescence.

Uses

Pyrene occurs in coal tar. Also obtained by the destructive hydrogenation of hard coal. Found in wastewater in aquatic environments, and possesses genotoxic characteristics relating to estrogenic/andr ogenic, antiestrogenic and antiandrogenic activity.

Production Methods

There is no commercial production or known use for this compound. Pyrene has been used as starting material for the synthesis of benzo[a]pyrene.

Definition

A condensed ring hydro- carbon.

General Description

Colorless solid, solid and solutions have a slight blue fluorescence. Used in biochemical research.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Pyrene reacts with nitrogen oxides to form nitro derivatives. Pyrene also reacts with 70% nitric acid.

Hazard

A questionable carcinogen, absorbed by skin.

Health Hazard

Pyrene is a carcinogenic agent and is absorbed by the skin. It is a skin irritant, a suspected mutagen, and an equivocal tumor-causing agent. Workers exposed to 3 to 5 mg/m3 of Pyrene exhibited some teratogenic effects. Pyrene is a polycyclic aromatic hydrocarbon (PAH). The acute toxicity of pure PAHs appears low when administered orally or dermally to rats or mice. Human exposure to PAHs is almost exclusively via the gastrointestinal and respiratory tracts, and approximately 99 percent is ingested in the diet. Despite the high concentrations of Pyrene to which humans may be exposed through food, there is currently little information available to implicate diet-derived PAHs as the cause of serious health effects.

Fire Hazard

When heated to decomposition, Pyrene emits acrid smoke and fumes.

Safety Profile

Poison by inhalation. Moderately toxic by ingestion and intraperitoneal routes. A sh irritant. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Potential Exposure

Pyrene is used as an industrial chemi- cal and in biochemical research.

Carcinogenicity

Pyrene was inactive as a tumor initiator. Based on inadequate animal data and no human data, the IARC classified pyrene as group 3, not classifiable as to its carcinogenicity to humans, and IRIS classified pyrene as a class D compound. Pyrene is present as a major component of the total content of PAHs in the environment. Exposure occurs primarily through tobacco smoke, inhalation of polluted air, and by ingestion of food and water.

Shipping

UN3077 Environmentally hazardous substances, solid, n.o.s., Hazard class: 9; Labels: 9-Miscellaneous haz- ardous material, Technical Name Required.

Purification Methods

Crystallise pyrene from EtOH, glacial acetic acid, *benzene or toluene. Purify it also by chromatography of CCl4 solutions on alumina, with *benzene or n-hexane as eluent. [Backer & Whitten J Phys Chem 91 865 1987.] It can also be zone refined and purified by sublimation. Marvel and Anderson [J Am Chem Soc 76 5434 1954] refluxed pyrene (35g) in toluene (400mL) with maleic anhydride (5g) for 4days, then added 150mL of aqueous 5% KOH and refluxed for 5hours with occasional shaking. The toluene layer was separated, washed thoroughly with H2O, concentrated to about 100mL and allowed to cool. Crystalline pyrene was filtered off and recrystallised three times from EtOH or acetonitrile. [Chu & Thomas J Am Chem Soc 108 6270 1986, Russell et al. Anal Chem 50 2961 1986.] The material is free from anthracene derivatives. Another purification step involves passage of pyrene in cyclohexane through a column of silica gel. It can be sublimed in a vacuum and zone refined. The picrate has m 224o. [Kano et al. J Phys Chem 89 3748 1985, Beilstein 5 IV 2467.]

Incompatibilities

Pyrene Dust may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Pyrene reacts with nitrogen oxides to form nitro derivatives. It also reacts with 70% nitric acid

Waste Disposal

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed .

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