Benzo[a]pyrene 苯并(a)芘

CAS 50-32-8 MFCD00003602

化学结构图

50-32-8
SMILES: c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34

化学属性

Mol. FormulaC20H12
Mol. Weight252.31
Melting Point177-180 °C
Solubility不溶于水,微溶于乙醇、甲醇,溶于苯、甲苯、二甲苯、氯仿、乙醚、丙酮等。
TSCAYes
Boiling Point495 °C at 760 mmHg
Flash Point495°C
Density1.286
Stability对光线敏感

别名和识别编码

Chemical NameBenzo[a]pyrene
CAS Number50-32-8
Synonym Benzo[a]pyrene {LY} Benzo[a]pyrene {} {LY} Benzo[a]pyrene {} {} {LY} Benzo[a]pyrene {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[a]pyrene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
MDL NumberMFCD00003602
Reaxys-RN1911333
Merck Number1103
Beilstein Registry Number5(3)2517
PubChem Substance ID2336
EC Number200-028-5
Chemical Name Translation苯并(a)芘
Wiswesser Line NotationL D6 B6666 2AB TJ
LabNetwork Molecule IDLN00189340
InChIInChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
Canonical SMILESC12=C(C=C3)C=C(C=CC=C4)C4=C1C=CC5=CC=CC3=C25
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 12ring; 14ring; 16ring; 18ring; 1fragment
  • {SNA} All PAH Standards, Analytical Standards, Analytical/Chromatography, CRMs, Certified Reference Materials (CRMs), Chromatography,
  • {SNA} ABC Transporter Research,
  • {SNA} Ad
  • {SNA} All PAH Standards,
  • {SNA} All PAH Standards, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, PAHs, Volatiles/ Semivolatiles, solutions
  • {SNA} Additional Standards, All PAH Standards, Analytical Standards, Chromatography, Environmental Standards, Organic Pollutant Standards, PAHs, Polycyclic Aromatic Hydrocarbon (PAH) Standards, Vol

产品应用

  • 本品在工业上无生产和使用价值,一般只作为生产过程中形成的副产物随废气排放。

相关文献及参考

  • Andrysik, Z., et al., The aryl hydrocarbon receptor-dependent deregulation of cell cycle control induced by polycyclic aromatic hydrocarbons in rat liver epithelial cells. Mutat. Res. 615 , 87-97, (2007) 摘要
  • Arif, J. et al.: DNA Adducts, 127 (2010); Nair, S. et al.: Cancer Prev. Res., 2, 895 (2009); Staal, Y. et al.: Carcinogenesis, 27, 646 (2006); Mensing, T. et al.: Int. Hyg. Env. Health, 208, 197 (2005
  • Short: II/27B
  • Revel, A., et al., Resveratrol, a natural aryl hydrocarbon receptor antagonist, protects lung from DNA damage and apoptosis caused by benzo[a]pyrene. J. Appl. Toxicol. 23 , 255-261, (2003) 摘要
  • Olsen, A.K., et al., Environmental Exposure Of The Mouse Germ Line: DNA Adducts In Spermatozoa And Formation Of De Novo Mutations During Spermatogenesis. PLoS ONE 5 , e11349, (2010) 摘要
  • Merck: 14,1103
  • Yang, H., et al., Overexpression Of Antioxidant Enzymes In ApoE-deficient Mice Suppresses Benzo(a)pyrene-accelerated Atherosclerosis. Atherosclerosis 207 , 51-8, (2009) 摘要
  • Merck: 14,1103 Beilstein:5(3)2517
  • Gamper, H.B., et al., Mechanism of benzo[a]pyrene diol epoxide induced deoxyribonucleic acid strand scission. Biochemistry 19 , 3948-3956, (1980) 摘要
  • Merck 14 ,1103

安全信息

RTECSDJ3675000
UN Number UN3077
Signal word
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P302+P352
  • P302+P352+P333+P313+P362+P364
  • P308+P313
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P333+P313
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H340 May cause genetic defects 可能导致遗传性缺陷
  • H350 May cause cancer 可能致癌
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐:立即求医并出示该容器或标签;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
Risk Statements
GHS Symbol
WGK Germany3
Hazard Codes T,N F;T;N T,N,F F,T,N
Packing GroupIII
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Class9
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {}
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 ug/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 72,733,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 15 mg/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
   Musculoskeletal - tumors
REFERENCE :
   EXPTAX Experimentelle Pathologie (1967-1980).  (Jena, Ger. Dem. Rep.)
   V.1-18, 1967-80.  For publisher inform

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 39 mg/kg/6D-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   29,506,1969

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 22 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Brain and Coverings - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   29,1927,1969

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intrarenal
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 9 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   24,1969,1964

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   23,288,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   69,103,1967

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 1 mg/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 2,4

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 147 gm/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 109,183,1983

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 200 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Fish - not otherwise specified Liver
DOSE/DURATION           : 20 nmol/L
REFERENCE :
   HKXUDL Huanjing Kexue Xuebao.  Environmental Sciences Journal.  (China
   International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 
     1981-  Volume(issue)/page/year: 4,368,1984

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3900 pmol/plate
REFERENCE :
   PPTCBY Proceedings of the International Symposium of the Princess Takamatsu
   Cancer Research Fund. (Japan Scientific Soc. Press, 6-2-10 Hongo, Bunkyo-ku,
   Tokyo 113, Japan)  1st-    1971-  Volume(issue)/pag

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 312 ng/plate
REFERENCE :
   RCOCB8 Research Communications in Chemic

{h

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2 gm/kg
SEX/DURATION            : female 28 day(s) pre-mating
                          female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - stillbirth
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 20,224,1964

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 150 mg/kg
SEX/DURATION            : female 6-8 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 42,195,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1344 mg/kg
SEX/DURATION            : female 15 day(s) pr

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2100 ug/kg
SEX/DURATION            : female 15-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   JDPHDH Journal of Developmental Physiology. (Oxford University Press,
   Pinkhill House, So

其他信息

  • 用途一:本品在工业上无生产和使用价值,一般只作为生产过程中形成的副产物随废气排放。
  • 刺激数据:皮肤-小鼠 0.014 毫克 轻度
  • 储运特性:通风低温干燥; 与库房食品原料分开存放
  • 可燃性危险特性:可燃; 燃烧产生刺激烟雾
  • Alfa Aesar:苯并[a]芘,98% Benzo[a]pyrene, 96%(50-32-8)
  • 外观性质:无色至淡黄色、针状、晶体(纯品)。
  • 毒性分级:高毒
  • 不溶于水,微溶于乙醇、甲醇,溶于苯、甲苯、二甲苯、氯仿、乙醚、丙酮等。
  • MSDS 信息:苯并(a)芘(50-32-8).msds
  • 用途二:本品在工业上无生产和使用价值,一般只作为生产过程中形成的副产物随废气排放。校准仪器和装置;评价方法;工作标准;质量保证/质量控制;其他。
  • TCI Shanghai:3,4-苯并芘 3,4-Benzopyrene,>;95.0%(GC)(50-32-8)
  • 图谱信息:苯并(a)芘(50-32-8)红外图谱(IR1) 苯并(a)芘(50-32-8)质谱(MS) 苯并(a)芘(50-32-8)核磁图( 1 HNMR)
  • Sigma Aldrich:50-32-8(sigmaaldrich)
  • MOL 文件:50-32-8.mol
  • 职业标准:TWA 0.2 毫克/立方米
  • 急性毒性:皮下-大鼠 LD50: 50 毫克/公斤; 腹腔-小鼠 LDL0: 500 毫克/公斤
  • 苯并(a)芘价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 SB176001 苯并[a]芘 1g 2934元 2011/04/16 B0085 3,4-苯并芘 3,4-Benzopyrene 1G 2220元 2011/04/16 B0085 3,4-苯并芘 3,4-Benzopyrene 100MG 445元
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类


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