对苯二异氰酸酯 | 104-49-4
对苯二异氰酸酯
1,4-Phenylene diisocyanate
104-49-4
C8H4N2O2
160.1296
名称和标识符
MDL |
MFCD00002025 |
InChIKey |
ALQLPWJFHRMHIU-UHFFFAOYSA-N |
Inchi |
1S/C8H4N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H |
SMILES |
O=C=NC1C([H])=C([H])C(=C([H])C=1[H])N=C=O |
别名信息
- 中文别名 -
- 对苯二异氰酸酯
- (+)-2-(2-氟-4-联苯基)-丙酸
- 氟比洛芬
- 1,4-二异氰酸苯酯
- 1-丙基哌嗪二氢溴酸
- 对亚苯基二异氰酸酯
- 1,4-亚苯基异氰酸酯
- 1,4-苯二异氰酸酯
- 1,4-Phenylene Diisocyanate 1,4-苯二异氰酸酯
- 对苯二异酸酯(PPDI)
- 三氟乙酰赖氨酸
- 1,4-苯二异氰酸
- N6-三氟乙酰基-L-赖氨酸
- 4-苯二异氰酸
- 对苯二异氰酸酯,98%
- 英文别名 -
- 1,4-PHENYLENE DIISOCYANATE
- 3-fluoro-4-phenylhydratropic acid
- BENZENE 1,4-DIISOCYANATE
- PPDI
- P-PHENYLENE DIISOCYANATE
- 1,4-Benzenediisocyanate
- 1,4-diisocyanato-benzen
- 1,4-Diisocyanatobenzene
- 1,4-diisocyanato-Benzene
- benzene,1,4-diisocyanato-
- Isocyanic acid, p-phenylene ester
- Phenylene-1,4-diisocyanate
- p-Phenylene isocyanate
- FLURBIPROFEN USP24
- p-phenyl diisocyanate
- Para Phenylene Diisocyanate
- 1,4-Phenyldiisocyanate
- p-phenyl diisocyanate (PPDI)
- 1,4-Phenylene diisoc
- Phenylene diisocyanat
- 4,4'-phenyl isocyanate
- p-phenyleneisocyanate
- BENZENE, 1,4-DIISOCYANATO-
- 1,4-Phenylenediisocyanate
- OKE64XZR2L
- ALQLPWJFHRMHIU-UHFFFAOYSA-N
- 1,4-Phenylene diisocyanate [Diisocyanates]
- benzene-1,4-diisocyanate
- Isocyanic acid, p-phenylene ester (6CI,7CI,8CI)
- p-phenylenediisocyanate
- tran
- Benzene 1,4-Diisocyanate
- p-Phenylene diisocyanate
- J-504009
- 1,4-Phenylene diisocyanate
- EN300-20167
- UNII-OKE64XZR2L
- 1,4-PHENYLENEBIS(ISOCYANATE)
- Benzene,4-diisocyanato-
- AS-58750
- NSC 94776
- trans-Styrilacetic acid
- NSC94776
- NCIOpen2_001342
- Q13427524
- FT-0631571
- 104-49-4
- SCHEMBL15430
- paraphenylene diisocyanate
- DTXSID3025883
- AKOS000120973
- J-800251
- 1,4-diisocyanato-benzene
- 4,4'-Phenylisocyanate
- EINECS 203-207-6
- HYDROQUINONE, DIISOCYANATE
- MFCD00002025
- P1640
- NSC-94776
- NS00020462
物化性质
实验特性
LogP |
1.62120 |
PSA |
58.86000 |
折射率 |
1.4900 (estimate) |
沸点 |
118°C/14mmHg(lit.) |
熔点 |
94.0 to 98.0 deg-C |
蒸气压 |
<0.01 mmHg ( 20 °C) |
闪点 |
华氏:>235.4 °F 摄氏:>113 °C
|
溶解度 |
THF: soluble |
颜色与性状 |
未确定 |
稳定性 |
Stable. Combustible. Incompatible with strong oxidising agents, strong alkalies, strong acids, alcohols, amines. Moisture sensitive. |
溶解性 |
未确定 |
敏感性 |
对湿度和热敏感 |
密度 |
1.3848 (rough estimate) |
计算特性
精确分子量 |
160.02700 |
氢键供体数量 |
0 |
氢键受体数量 |
4 |
可旋转化学键数量 |
2 |
同位素质量 |
160.027277 |
重原子数量 |
12 |
复杂度 |
205 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
3.5 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
58.9 |
海关数据
海关编码 |
2929109000 |
海关数据 |
中国海关编码:
2929109000
概述:
2929109000. 其他异氰酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
|
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参考资料
Reaxys RN |
511118 |
Beilstein |
13(4)174 |
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