1,3-二硝基芘
1,3-二硝基芘结构式
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常用名 | 1,3-二硝基芘 | 英文名 | 1,3-Dinitropyrene |
|---|---|---|---|---|
| CAS号 | 75321-20-9 | 分子量 | 292.24600 | |
| 密度 | 1.574g/cm3 | 沸点 | 493.9ºC at 760 mmHg | |
| 分子式 | C16H8N2O4 | 熔点 | N/A | |
| MSDS | 中文版 美版 | 闪点 | 248ºC | |
| 符号 |
GHS07 |
信号词 | Warning |
| 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 | 更多 |
| 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 |
| 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 |
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1,3-二硝基芘 75321-20-9 |
| 文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994 |
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详细
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| 文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994 |
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~%
详细
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| 文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994 |
|
~%
详细
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| 文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994 |
|
~%
详细
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| 文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 5 p. 1992 - 1994 |
|
~%
1,3-二硝基芘 75321-20-9 |
| 文献：Chemosphere, , vol. 39, # 11 p. 1923 - 1936 |
CAS号86674-49-9|
Inactivation of 1,3-, 1,6-, and 1,8-dinitropyrene by cytochrome P-450 enzymes in human and rat liver microsomes.
Cancer Res. 50(7) , 2036-43, (1990) NADPH-fortified human liver microsomes were examined with regard to ability to detoxicate several chemicals that do not require enzymatic oxidation to elicit a genotoxic response in a Salmonella typhi... |
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Modulation of the mutagenicity of three dinitropyrene isomers in vitro by rat-liver S9, cytosolic, and microsomal fractions following chronic ethanol ingestion.
Mutat. Res. 279(4) , 289-98, (1992) The effects of chronic ethanol feeding of rats on the ability of liver fractions to modulate the bacterial mutagenicity of three dinitropyrene isomers (1,3-, 1,6- and 1,8-DNP), which require bacterial... |
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Mutagenic activity and quantification of nitroarenes in surface soil in the Kinki region of Japan.
Mutat. Res. 538(1-2) , 121-31, (2003) To clarify the mutagenic potential of surface soil in the Kinki region of Japan, particularly in Osaka and neighboring cities, 62 surface soil samples were collected and their organic extracts were ex... |
| MFCD00010493 |
| 1,3-dinitropyrene |
