芘（CAS 129-00-0）：分子式 C16H10、分子量 202.25。
| CAS号 | 129-00-0 |
|---|---|
| 分子式 | C16H10 |
| 分子量 | 202.25 |
| 熔点 | 313 °F (EPA, 1998) |
| 沸点 | 759 °F at 760 mmHg (EPA, 1998) |
| LogP | 4.9 |
| 应用领域 | Uses: Used in research、[Hawley] As a starting material in the production of optical brighteners and dyes、[HSDB] It is a by-product of the pyrolysis of organic matter and is present in coal tar distillates、diesel exhaust、automobile exhaust、tobacco smoke、barbecue smoke、wood smoke、lake sediments、waste oils、and sewage. [CHEMINFO]、Optical brighteners can be synthesized by reaction of pyrene with a complex of cyanuric chloride and aluminum chloride.、By analogy to fluoranthene、pyrene and alkylpyrenes can be used as additives in electro-insulating oils as well as in epoxy resins for electrical insulation.、Pyrene from coal-tar has been used as a starting material for the synthesis of benzo(a)pyrene.、Pyrene itself can serve as an electron donor to enhance the blackness in pencil leads.、Biochemical research.、Synthetic Polymer MALDI Matrix Compounds、PAHs are released into the environment via the combustion of fossil fuels、coke oven emissions and vehicle exhausts、as well as naturally from forest fires and vocanic eruptions. PAHs from these sources may contaminate nearly water systems. They are also found in coal tar and charbroiled food. (L10)、Industry Uses: Preservative、Corrosion inhibitor、Methods of Manufacturing: Pyrene is found in products of incomplete combustion、fossil fuels、and high-temperature coal tar fractions、which on average contain ca. 2% pyrene. It is recovered from a fraction crystallizing above 110 °C、which is obtained by redistillation of the high-boiling anthracene oil II or pitch distillate. Pure pyrene is produced by recrystallization、e.g.、from solvent naphtha or by fractional crystallization from the melt、followed by dephenolation and debasing、and by refining with 80% sulfuric acid. Alternatively、pyrene-accompanying brasane (2、3-benzodiphenylene oxide) can be separated by recrystallization from xylene in the presence of iron(III) chloride. Traces of tetracene are removed by reaction with maleic anhydride.、... Obtained by the destructive hydrogenation of hard coal.、Pyrene can be synthesized via bromination of o、o'-ditolyl. The resulting intermediate is transformed into its corresponding dicarboxylic acid via dinitrile intermediates. Cyclization takes place in the presence of zinc dust. An alternative route to pyrene is the reaction of peri-trimethylenenapthalene with malonyl chloride and AlCl3. It is also accessible via the Reformatsky reaction of 4-keto-1、2、3、4-tetrahydrophenanthrene、From coal tar.、Impurities: ... The usual contaminant which gives it a yellow color is tetracene.、U.S. Production: 2023: 895、552 lb、2022: 847、486 lb、2021: 1、174、588 lb、2020: 886、719 lb、(1978) Not produced commercially in USA、(1982) Not produced commercially in USA、(1983) Not produced commercially in USA、Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#4714]、For more U.S. Production (Complete) data for Pyrene (6 total)、please visit the HSDB record page.、U.S. Imports: (1978) 8.69X10+7 G、(1982) 7.88X10+7 G、(1985) 5.74X10+7 g、General Manufacturing Information: Wood Product Manufacturing、Synthetic Dye and Pigment Manufacturing、Pyrene: ACTIVE |
登记用途：Uses: Used in research、[Hawley] As a starting material in the production of optical brighteners and dyes、[HSDB] It is a by-product of the pyrolysis of organic matter and is present in coal tar distillates、diesel exhaust、automobile exhaust、tobacco smoke、barbecue smoke、wood smoke、lake sediments、waste oils、and sewage. [CHEMINFO]、Optical brighteners can be synthesized by reaction of pyrene with a complex of cyanuric chloride and aluminum chloride.、By analogy to fluoranthene、pyrene and alkylpyrenes can be used as additives in electro-insulating oils as well as in epoxy resins for electrical insulation.、Pyrene from coal-tar has been used as a starting material for the synthesis of benzo(a)pyrene.、Pyrene itself can serve as an electron donor to enhance the blackness in pencil leads.、Biochemical research.、Synthetic Polymer MALDI Matrix Compounds、PAHs are released into the environment via the combustion of fossil fuels、coke oven emissions and vehicle exhausts、as well as naturally from forest fires and vocanic eruptions. PAHs from these sources may contaminate nearly water systems. They are also found in coal tar and charbroiled food. (L10)、Industry Uses: Preservative、Corrosion inhibitor、Methods of Manufacturing: Pyrene is found in products of incomplete combustion、fossil fuels、and high-temperature coal tar fractions、which on average contain ca. 2% pyrene. It is recovered from a fraction crystallizing above 110 °C、which is obtained by redistillation of the high-boiling anthracene oil II or pitch distillate. Pure pyrene is produced by recrystallization、e.g.、from solvent naphtha or by fractional crystallization from the melt、followed by dephenolation and debasing、and by refining with 80% sulfuric acid. Alternatively、pyrene-accompanying brasane (2、3-benzodiphenylene oxide) can be separated by recrystallization from xylene in the presence of iron(III) chloride. Traces of tetracene are removed by reaction with maleic anhydride.、... Obtained by the destructive hydrogenation of hard coal.、Pyrene can be synthesized via bromination of o、o'-ditolyl. The resulting intermediate is transformed into its corresponding dicarboxylic acid via dinitrile intermediates. Cyclization takes place in the presence of zinc dust. An alternative route to pyrene is the reaction of peri-trimethylenenapthalene with malonyl chloride and AlCl3. It is also accessible via the Reformatsky reaction of 4-keto-1、2、3、4-tetrahydrophenanthrene、From coal tar.、Impurities: ... The usual contaminant which gives it a yellow color is tetracene.、U.S. Production: 2023: 895、552 lb、2022: 847、486 lb、2021: 1、174、588 lb、2020: 886、719 lb、(1978) Not produced commercially in USA、(1982) Not produced commercially in USA、(1983) Not produced commercially in USA、Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#4714]、For more U.S. Production (Complete) data for Pyrene (6 total)、please visit the HSDB record page.、U.S. Imports: (1978) 8.69X10+7 G、(1982) 7.88X10+7 G、(1985) 5.74X10+7 g、General Manufacturing Information: Wood Product Manufacturing、Synthetic Dye and Pigment Manufacturing、Pyrene: ACTIVE。
芘 是一种化工化合物，登记 CAS 号为 129-00-0，分子式 C16H10（分子量 202.25）。
登记 CAS 号：129-00-0
其分子式 C16H10 由 16 个碳、10 个氢 组成。
别名/同义词：芘 · PYRENE
芘 的 CAS 登记号为 129-00-0。
分子式 C16H10，分子量 202.25。
别名/同义词：芘、PYRENE。
登记用途：Uses: Used in research、[Hawley] As a starting material in the production of optical brighteners and dyes、[HSDB] It is a by-product of the pyrolysis of organic matter and is present in coal tar distillates、diesel exhaust、automobile exhaust、tobacco smoke、barbecue smoke、wood smoke、lake sediments、waste oils、and sewage. [CHEMINFO]、Optical brighteners can be synthesized by reaction of pyrene with a complex of cyanuric chloride and aluminum chloride.、By analogy to fluoranthene、pyrene and alkylpyrenes can be used as additives in electro-insulating oils as well as in epoxy resins for electrical insulation.、Pyrene from coal-tar has been used as a starting material for the synthesis of benzo(a)pyrene.、Pyrene itself can serve as an electron donor to enhance the blackness in pencil leads.、Biochemical research.、Synthetic Polymer MALDI Matrix Compounds、PAHs are released into the environment via the combustion of fossil fuels、coke oven emissions and vehicle exhausts、as well as naturally from forest fires and vocanic eruptions. PAHs from these sources may contaminate nearly water systems. They are also found in coal tar and charbroiled food. (L10)、Industry Uses: Preservative、Corrosion inhibitor、Methods of Manufacturing: Pyrene is found in products of incomplete combustion、fossil fuels、and high-temperature coal tar fractions、which on average contain ca. 2% pyrene. It is recovered from a fraction crystallizing above 110 °C、which is obtained by redistillation of the high-boiling anthracene oil II or pitch distillate. Pure pyrene is produced by recrystallization、e.g.、from solvent naphtha or by fractional crystallization from the melt、followed by dephenolation and debasing、and by refining with 80% sulfuric acid. Alternatively、pyrene-accompanying brasane (2、3-benzodiphenylene oxide) can be separated by recrystallization from xylene in the presence of iron(III) chloride. Traces of tetracene are removed by reaction with maleic anhydride.、... Obtained by the destructive hydrogenation of hard coal.、Pyrene can be synthesized via bromination of o、o'-ditolyl. The resulting intermediate is transformed into its corresponding dicarboxylic acid via dinitrile intermediates. Cyclization takes place in the presence of zinc dust. An alternative route to pyrene is the reaction of peri-trimethylenenapthalene with malonyl chloride and AlCl3. It is also accessible via the Reformatsky reaction of 4-keto-1、2、3、4-tetrahydrophenanthrene、From coal tar.、Impurities: ... The usual contaminant which gives it a yellow color is tetracene.、U.S. Production: 2023: 895、552 lb、2022: 847、486 lb、2021: 1、174、588 lb、2020: 886、719 lb、(1978) Not produced commercially in USA、(1982) Not produced commercially in USA、(1983) Not produced commercially in USA、Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#4714]、For more U.S. Production (Complete) data for Pyrene (6 total)、please visit the HSDB record page.、U.S. Imports: (1978) 8.69X10+7 G、(1982) 7.88X10+7 G、(1985) 5.74X10+7 g、General Manufacturing Information: Wood Product Manufacturing、Synthetic Dye and Pigment Manufacturing、Pyrene: ACTIVE。
芘（CAS 129-00-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 129-00-0 |
|---|---|
| PubChem CID | 31423 |
| Molecular formula | C16H10 |
| IUPAC name | pyrene |
| UNII (FDA) | 9E0T7WFW93 |
| Molecular Weight | 202.25 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 202.078250319 |
| Monoisotopic Mass | 202.078250319 |
| Topological Polar Surface Area | 0 |
| Heavy Atom Count | 16 |
| Boiling Point | 759 °F at 760 mmHg (EPA, 1998) |
|---|---|
| Boiling Point | 394 °C |
| Boiling Point | 404.00 °C. @ 760.00 mm Hg |
| Boiling Point | 404 °C |
| Boiling Point | 759 °F |
| Boiling Point | 404 °C @760 [mm Hg] |
| Melting Point | 313 °F (EPA, 1998) |
| Melting Point | 150.62 °C |
| Melting Point | 151.2 °C |
| Melting Point | 151 °C |
PYRENE; 129-00-0; Benzo[def]phenanthrene; Pyren; beta-Pyrene; Benzo(def)phenanthrene; DTXSID3024289; NSC 17534; 9E0T7WFW93; CHEBI:39106; AI3-23977; NSC-17534; NSC-66449; DTXCID804289; NSC17534; RefChem:6184
| Regulatory & Food Contact | FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS |
|---|---|
| GHS notification summary | 13.4% (22 / 164) |
| GHS notification summary | 13.4% (22 / 164) |
|---|---|
| Reported hazard statements | H315 (63.4%), H319 (63.4%), H335 (63.4%), H400 (78.7%), H410 (84.1%) |
This chemical does not meet GHS hazard criteria for 13.4% (22 of 164) of reports.
H315 (63.4%): Causes skin irritation [Warning Skin corrosion/irritation]
PYRENE · CAS 129-00-0 · C16H10. UNII 9E0T7WFW93. Boiling Point: 759 °F at 760 mmHg (EPA, 1998); Boiling Point: 394 °C; Boiling Point: 404.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: PYRENE