75321-20-9

• 常用中文名：1,3-二硝基芘
• 常用英文名：1,3-Dinitropyrene
• CAS号：75321-20-9
• 分子式：C₁₆H₈N₂O₄
• 分子量：292.24600
• 发布时间：2018-03-16 08:00:00
• 更新时间：2024-01-11 19:30:08
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名称

• 中文名: 1,3-二硝基芘
• 英文名: 1,3-Dinitropyrene
• 中文别名: 1.3-二硝基芘; 1，3-二硝基芘
• 英文别名: MFCD00010493; 1,3-dinitropyrene

物化性质

• 密度: 1.574g/cm3
• 沸点: 493.9ºC at 760 mmHg
• 分子式: C₁₆H₈N₂O₄
• 分子量: 292.24600
• 闪点: 248ºC
• 精确质量: 292.04800
• PSA: 91.64000
• LogP: 5.44680
• 折射率: 1.887
• 分子结构:

  1、 摩尔折射率：85.55

  2、 摩尔体积（cm³/mol）：185.6

  3、 等张比容（90.2K）：560.6

  4、 表面张力（dyne/cm）：83.1

  5、 极化率：33.91

  6、 介电常数：未确定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.7

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积91.6

  7.重原子数量:22

  8.表面电荷:0

  9.复杂度:446

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UR2454000 CHEMICAL NAME : Pyrene, 1,3-dinitro- CAS REGISTRY NUMBER : 75321-20-9 LAST UPDATED : 199806 DATA ITEMS CITED : 26 MOLECULAR FORMULA : C16-H8-N2-O4 MOLECULAR WEIGHT : 292.26 WISWESSER LINE NOTATION : L666 B6 2AB PJ DNW FNW HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 23 mg/kg/4W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 16 mg/kg/10W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 35071 ug/kg/4W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors MUTATION DATA TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - hamster Ovary DOSE/DURATION : 500 ug/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 119,387,1983 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 46,201,1989 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 46,201,1989 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 46,201,1989

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302 + H312 + H332
• 警示性声明: P280
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): 20/21/22
• 危险品运输编码: NONH for all modes of transport

合成路线

129-00-0 ~% 75321-20-9

文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994

1606-67-3 ~% 5522-43-0 42397-65-9 42397-64-8 详细

文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994

30269-04-6 ~% 5522-43-0 42397-65-9 42397-64-8 详细

文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994

14923-84-3 ~% 5522-43-0 42397-65-9 42397-64-8 详细

文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994

92821-64-2 ~% 5522-43-0 42397-65-9 42397-64-8 详细

文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994

5522-43-0 ~% 42397-65-9 42397-64-8 75321-20-9

文献：Chemosphere, , vol. 39, # 11 p. 1923 - 1936

上下游产品

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92821-64-2 5522-43-0
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