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Product No: BF4204

pyrene, 95%

Name: pyrene
Brand: Chempure

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CAS Number

129-00-0

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IUPAC name	pyrene
canonical smiles	C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
inchi	InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
inchi key	BBEAQIROQSPTKN-UHFFFAOYSA-N
molecular formula	C16H10
synonyms	PYRENE 129-00-0 Benzo[def]phenanthrene Pyren beta-Pyrene
Compound Description	Pyrene is a colorless solid, solid and solutions have a slight blue fluorescence. Used in biochemical research. Pyrene is an ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. It has a role as a fluorescent probe and a persistent organic pollutant. Pyrene is a parent class of polycyclic aromatic hydrocarbons containing four fused rings. Pyrene is a polycyclic aromatic hydrocarbon consisting of four fused benzene rings, resulting in a flat aromatic system. The chemical formula is C16H10. This colourless solid is the smallest peri-fused PAH . Pyrene forms during incomplete combustion of organic compounds. Although it is not as problematic as benzopyrene, animal studies have shown pyrene is toxic to the kidneys and the liver.

Computed Properties

Molecular Weight:	202.25 g/mol
XLogP3:	4.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	0
Exact Mass:	202.078250319 g/mol
Monoisotopic Mass:	202.078250319 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	217
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzo[a]pyrene

Biphenyl

Pyrene

Phenanthrene

Diquat

Fluorene

Chrysene

Dibenzothiophene

3-Methylcholanthrene

Benzo[b]fluoranthene

Dibenz[a,h]anthracene

Benzo[e]pyrene

Indeno[1,2,3-cd]pyrene

Benzo[ghi]perylene

Dibenzo[a,l]pyrene

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (71.31%) Eye Irrit. 2 (71.31%) STOT SE 3 (100%) Aquatic Acute 1 (90.16%) Aquatic Chronic 1 (96.72%)
precautionary statement codes	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H315 (71.31%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (71.31%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (90.16%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (96.72%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	May cause photoirritant contact dermatitis. A skin irritant. An irritant. See POLYCYCLIC AROMATIC HYDROCARBONS.

toxicity summary

IDENTIFICATION AND USE: Pyrene is a solid. It can be used as an additive in electro-insulating oils as well as in epoxy resins for electrical insulation. Optical brighteners can be synthesized by reaction of pyrene with a complex of cyanuric chloride and aluminum chloride. Pyrene itself can serve as an electron donor to enhance the blackness in pencil leads. It is also used in biochemical research. HUMAN EXPOSURE AND TOXICITY: Exposure to the sun may provoke an irritating effect of pyrene on skin and lead to chronic skin discoloration. Pyrene, but not related polyaromatic hydrocarbons, enhanced basal transcription of the human and mouse IL-4 promoter. ANIMAL STUDIES: Dermal exposure to 10 g/kg was not lethal in mice. Inhalation caused pathological changes in hepatic, pulmonary, and intragastric tissue and a decrease in the number of neutrophils, leukocytes, and erythrocytes. No blastomogenic or carcinogenic effects were noted, except for an occasional papilloma. Some teratogenic effects were noted. Pyrene induced mutations and unscheduled DNA synthesis in some in vitro assays in mammalian cells. There is limited evidence that pyrene is active in short-term assays. ECOTOXICITY STUDIES: There was an interaction between pyrene and the thyroid system in fish. In rockfish, pyrene exposure impaired skeleton development via disrupting the proliferation of the chondrocytes. Embryonic exposure of zebrafish to low-level environmental pyrene disrupted normal cardiac development and altered expression of defective cardiac differentiation related genes. Pyrene might be a contributor to the behavioral and neuro-developmental toxicity in pufferfish. in the earthworm Lumbricus rubellus pyrene was found to cause a dose dependant decrease in lactate and the concentrations of the saturated fatty acids tetradecanoic, hexadecanoic and octadecanoic acid and an increase in production of the amino acids alanine, leucine, valine, isoleucine, lysine, tyrosine and methionine. It is proposed that this indicates impaired glucose metabolism, with an associated increase in fatty acid metabolism and changes in TCA cycle intermediates.The ability of PAH's to bind to blood proteins such as albumin allows them to be transported throughout the body. Many PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis.

symptoms

Acute exposure to PAHs causes irritation and inflammation of the skin and lung tissue.

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About this item

Documentation

Certificate of Analysis

Lot Number

Require a Sample Certificate of Analysis (COA) ?

CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	pyrene
canonical smiles	C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
inchi	InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
inchi key	BBEAQIROQSPTKN-UHFFFAOYSA-N
molecular formula	C16H10
synonyms	PYRENE 129-00-0 Benzo[def]phenanthrene Pyren beta-Pyrene
Compound Description	Pyrene is a colorless solid, solid and solutions have a slight blue fluorescence. Used in biochemical research. Pyrene is an ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. It has a role as a fluorescent probe and a persistent organic pollutant. Pyrene is a parent class of polycyclic aromatic hydrocarbons containing four fused rings. Pyrene is a polycyclic aromatic hydrocarbon consisting of four fused benzene rings, resulting in a flat aromatic system. The chemical formula is C16H10. This colourless solid is the smallest peri-fused PAH . Pyrene forms during incomplete combustion of organic compounds. Although it is not as problematic as benzopyrene, animal studies have shown pyrene is toxic to the kidneys and the liver.

Computed Properties

Molecular Weight:	202.25 g/mol
XLogP3:	4.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	0
Exact Mass:	202.078250319 g/mol
Monoisotopic Mass:	202.078250319 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	217
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzo[a]pyrene

Biphenyl

Pyrene

Phenanthrene

Diquat

Fluorene

Chrysene

Dibenzothiophene

3-Methylcholanthrene

Benzo[b]fluoranthene

Dibenz[a,h]anthracene

Benzo[e]pyrene

Indeno[1,2,3-cd]pyrene

Benzo[ghi]perylene

Dibenzo[a,l]pyrene

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (71.31%) Eye Irrit. 2 (71.31%) STOT SE 3 (100%) Aquatic Acute 1 (90.16%) Aquatic Chronic 1 (96.72%)
precautionary statement codes	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H315 (71.31%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (71.31%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (90.16%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (96.72%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	May cause photoirritant contact dermatitis. A skin irritant. An irritant. See POLYCYCLIC AROMATIC HYDROCARBONS.

toxicity summary

symptoms

Acute exposure to PAHs causes irritation and inflammation of the skin and lung tissue.

Product No: BF4204

pyrene, 95%

Product No: BF4204

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BF4204

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

Require a Sample Certificate of Analysis (COA) ?