42397-64-8

• 常用中文名：1,6-二硝基芘
• 常用英文名：1,6-DINITROPYRENE
• CAS号：42397-64-8
• 分子式：C₁₆H₈N₂O₄
• 分子量：292.246
• 发布时间：2018-06-13 18:16:16
• 更新时间：2024-01-08 07:37:53
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名称

• 中文名: 1,6-二硝基芘
• 英文名: 1,6-Dinitropyrene
• 中文别名: 1，6-二硝基芘
• 英文别名: 1,6-DINITROPYRENE; MFCD00010494; Pyrene, 1,6-dinitro-

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 515.2±30.0 °C at 760 mmHg
• 熔点: >300ºC(lit.)
• 分子式: C₁₆H₈N₂O₄
• 分子量: 292.246
• 闪点: 261.6±17.4 °C
• 精确质量: 292.048401
• PSA: 91.64000
• LogP: 4.63
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.888
• 储存条件:

  密封、在 -20 ºC下保存

• 稳定性:

  常规情况下不会分解，没有危险反应

• 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:442

  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

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：>300°C(lit.)

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，0.16mm hg）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（ºC）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : UR2455000 CHEMICAL NAME : Pyrene, 1,6-dinitro- CAS REGISTRY NUMBER : 42397-64-8 BEILSTEIN REFERENCE NO. : 3413178 LAST UPDATED : 199710 DATA ITEMS CITED : 42 MOLECULAR FORMULA : C16-H8-N2-O4 MOLECULAR WEIGHT : 292.26 WISWESSER LINE NOTATION : L666 B6 2AB PJ DNW KNW 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 Gastrointestinal - tumors Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 9206 ug/kg/8W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intrapleural SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 600 ug/kg TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intratracheal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 120 ug/kg TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 80 mg/kg/20W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intratracheal SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : 104 mg/kg/26W-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) 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 MUTATION DATA TYPE OF TEST : Unscheduled DNA synthesis TEST SYSTEM : Rodent - rabbit Lung DOSE/DURATION : 2500 ng/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 175,259,1986 *** REVIEWS *** IARC Cancer Review:Animal Sufficient 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: 46,215,1989 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: 46,215,1989 IARC Cancer Review:Group 2B 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: 46,215,1989

安全

• 符号: GHS08
• 信号词: Danger
• 危害声明: H350
• 警示性声明: P201-P280-P308 + P313
• 个人防护装备: Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): T: Toxic;
• 风险声明 (欧洲): R45
• 安全声明 (欧洲): S53;S56
• 危险品运输编码: NONH for all modes of transport
• RTECS号: UR2455000
• 海关编码: 2904209090

合成路线

129-00-0 ~% 42397-64-8

文献：Hasegawa, Eietsu; Takizawa, Shinya; Seida, Takayuki; Yamaguchi, Akira; Yamaguchi, Naoto; Chiba, Naoki; Takahashi, Tomoya; Ikeda, Hiroshi; Akiyama, Kimio Tetrahedron, 2006 , vol. 62, # 27 p. 6581 - 6588

129-00-0 ~% 42397-65-9 42397-64-8

文献：Vollmann et al. Justus Liebigs Annalen der Chemie, 1937 , vol. 531, p. 1,43, 121

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

文献：Hashimoto, Yuichi; Shudo, Koichi Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 5 p. 1992 - 1994

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

文献：Hashimoto, Yuichi; Shudo, Koichi Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 5 p. 1992 - 1994

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

文献：Hashimoto, Yuichi; Shudo, Koichi Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 5 p. 1992 - 1994

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

文献：Hashimoto, Yuichi; Shudo, Koichi Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 5 p. 1992 - 1994

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

文献：Wang, Huimin; Hasegawa, Kiyoshi; Kagaya, Shigehiro Chemosphere, 1999 , vol. 39, # 11 p. 1923 - 1936

129-00-0 64-19-7 ~% 42397-65-9 42397-64-8

文献：Vollmann et al. Justus Liebigs Annalen der Chemie, 1937 , vol. 531, p. 1,33, 43, 46, 107, 121, 123

上下游产品

上游产品  7
129-00-0 1606-67-3 30269-04-6 14923-84-3
92821-64-2 5522-43-0 64-19-7
下游产品  1
14923-84-3

海关

海关编码	2904209090
中文概述	2904209090 其他仅含硝基或亚硝基的衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%