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α-萘异氰酸酯 | 86-84-0

α-萘异氰酸酯
1-Naphthyl isocyanate
86-84-0
C11H7NO
169.179382562637
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:α-萘异氰酸酯结构式
87571517
α-萘异氰酸酯价格
名称和标识符
MDL MFCD00003881
InChIKey BDQNKCYCTYYMAA-UHFFFAOYSA-N
Inchi 1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
SMILES O=C=NC1C2C(=CC=CC=2)C=CC=1
BRN 742779
别名信息
- 中文别名 -
  • α-萘异氰酸酯
  • 异氰酸-1-萘酯
  • 1-异氰酸萘基酯
  • 异氰酸1-萘基酯
  • 1-Naphthyl Isocyanate 异氰酸1-萘基酯
  • 1-萘基 异氰酸酯
  • 1-萘基 异氰酸酯, 衍生化试剂
  • 1-萘异氰酸酯
  • Alpha-萘异氰酸酯
  • α-萘基异氰酸酯
  • 1-萘基异氰酸酯
- 英文别名 -
  • α-Naphthyl isocyanate
  • Alpha-naphthylcarbylamine
  • alpha-Naphthyl isocyanate
  • 1-Naphthyl isocyanate
  • 1-Isocyanatonaphthalene
  • 1-isocyanato-naphthalene
  • 1-naphathyl isocyanate
  • 1-naphthalene isocyanate
  • 1-naphtylisocyanate
  • A-NAPHTHYL ISOCYANATE
  • CYCLOHEXANE-195
  • CYCLOHEXANE-205
  • HEXAHYDROBENZENE
  • HEXAMETHYLENE
  • HEXANAPHTHALENE
  • HEXANAPHTHENE
  • l-naphthyl isocyanate
  • naphth-1-yl isocyanate
  • NAPHTHENE
  • Isocyanic Acid 1-Naphthyl Ester
  • 86-84-0
  • 1-NAPHTHYLISOCYANATE [MI]
  • NAPHTHYL ISOCYANATE, 1-
  • 1-Naphthyl isocyanate, for HPLC derivatization, >=99.0% (GC)
  • AS-14269
  • NSC-4023
  • DTXSID9058949
  • NSC4023
  • Q27262522
  • SCHEMBL374
  • GEO-04573
  • MFCD00003881
  • alpha-naphthylisocyanate
  • FT-0608118
  • 1-Naphthylisocyanate
  • EINECS 250-067-7
  • STK399781
  • F2191-0305
  • FT-0651962
  • (R)-ALPHA-CYANOBENZYLACETATE
  • naphthylisocyanate
  • EN300-20916
  • 1-Naphthyl isocyanate, 98%
  • .alpha.-Naphthyl isocyanate
  • A820223
  • BBL027443
  • AB00331
  • Isocyanatonaphthalene
  • W-104056
  • Naphthalene, isocyanato-
  • EC 201-703-7
  • UNII-5LH2P0691E
  • Naphthalene, 1-isocyanato-
  • AI3-15382
  • CHEMBL2074791
  • I0125
  • NSC 4023
  • naphthyl isocyanate
  • C11H7NO
  • 1-naphthyl-isocyanate
  • AKOS000120750
  • InChI=1/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7
  • naphthylisocyanat
  • 30135-65-0
  • 1-naphthylisocyanat
  • EINECS 201-703-7
  • NAPHTH-1-YL ISOCYANATE
  • Isocyanic acid, 1-naphthyl ester
  • D91084
  • 5LH2P0691E
  • 1-Isocyanatonaphthalene (ACI)
  • Isocyanic acid, 1-naphthyl ester (6CI, 7CI, 8CI)
  • 1-Naphthalene isocyanate
  • Naphthalen-1-ylisocyanate
物化性质
实验特性
LogP 2.80710
PSA 29.43000
Merck 6410
折射率 n20/D 1.6344(lit.)
沸点 267 °C/761 mmHg(lit.)
熔点 4 °C (lit.)
蒸气压 168.8 mm Hg ( 37.7 °C)
闪点 华氏:235.4 °F
摄氏:113 °C
溶解度 Miscible with alcohol, chloroform and diethyl ether.
颜色与性状 无色液体,常温下几乎无气味,其蒸气有特殊的辛辣气味,对湿敏感,遇水分解
稳定性 Stable. Incompatible with strong oxidizing agents, alcohols.
溶解性 溶于乙醇、氯仿、乙醚和石油醚
敏感性 Moisture Sensitive
密度 1.177 g/mL at 25 °C(lit.)
计算特性
精确分子量 169.05300
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 1
同位素质量 514.115162
重原子数量 13
复杂度 220
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)
互变异构体数量
表面电荷 0
拓扑分子极性表面积 121
国际标准相关数据
EINECS 201-703-7
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%

生产方法和用途
用途 检定醇类、伯胺、仲胺、卤素和苯酚。
合成路线

合成路线:2 步

反应条件:
参考文献:
Staudinger-Ureation: A new and fast reaction for surface post-functionalization
Godeau, Guilhem; et al, Materials Today Communications, 2016, 8, 165-171

合成路线:1 步

反应条件:
参考文献:
Mild deprotection of the N-tert-butyloxycarbonyl (N-Boc) group using oxalyl chloride
George, Nathaniel; et al, RSC Advances, 2020, 10(40), 24017-24026

合成路线:3 步

反应条件:
参考文献:
Staudinger-Ureation: A new and fast reaction for surface post-functionalization
Godeau, Guilhem; et al, Materials Today Communications, 2016, 8, 165-171

合成路线:1 步

反应条件:
参考文献:
Naked Eye Detection of Anions by 2,2'-Bianthracene Derivative Bearing Urea Groups in Various Organic Solvents
Osawa, Kohei; et al, Chemistry Letters, 2020, 49(3), 290-294

合成路线:1 步

反应条件:
参考文献:
A new and efficient catalytic method for synthesizing isocyanates from carbamates
Uriz, Pedro; et al, Tetrahedron Letters, 2002, 43(9), 1673-1676

合成路线:1 步

反应条件:
参考文献:
Non-noble metallic Fe catalyst systems for the reductive carbonylation of nitrobenzene
Zhang, Jun; et al, Huaxue Xuebao, 2012, 70(1), 35-38

合成路线:1 步

反应条件:
参考文献:
Comparison of base-promoted and self-catalyzed conditions in the synthesis of isocyanates from amines using triphosgene
Charalambides, Yiannis C.; et al, Synthetic Communications, 2007, 37(6), 1037-1044

合成路线:1 步

参考文献:
Acyclic and cyclic carbamic acids and esters, and their sulfur, selenium, tellurium, and phosphorus analogues'
Rossi, L., Science of Synthesis, 2005, 18, 461-648

合成路线:1 步

反应条件:
参考文献:
Synthesis of isocyanates from carboxylic chlorides and sodium azide in mixtures of low-polar and polar aprotic solvents
Zlobin, V. A.; et al, Izvestiya Vysshikh Uchebnykh Zavedenii, 1989, 32(12), 35-7

合成路线:1 步

反应条件:
参考文献:
Staudinger-Ureation: A new and fast reaction for surface post-functionalization
Godeau, Guilhem; et al, Materials Today Communications, 2016, 8, 165-171

合成路线:1 步

反应条件:
参考文献:
Synthesis of isocyanates from carbamate esters employing boron trichloride
Butler, D. C. D.; et al, Chemical Communications (Cambridge), 1998, (23), 2575-2576

合成路线:1 步

反应条件:
参考文献:
Design, synthesis and biological evaluation of pyrimidinamine derivatives containing urea moiety
Liu, Weiqin; et al, Heterocycles, 2023, 106(1), 67-81

合成路线:1 步

反应条件:
参考文献:
Dealcoholysis process and catalysts for preparing isocyanates from urethanes
, Canada, , ,

合成路线:1 步

反应条件:
参考文献:
Antimalarial activity of novel imidazoisoquinolinone derivatives correlates with heme binding affinity
Bollini, Mariela; et al, Medicinal Chemistry Research, 2015, 24(4), 1496-1503

合成路线:1 步

反应条件:
参考文献:
Synthesis of isocyanates from carboxylic acids using diphenylphosphoryl azide and 1,8-bis(dimethylamino)naphthalene
Gilman, Jeffrey W.; et al, Synthetic Communications, 1993, 23(3), 335-41

合成路线:2 步

反应条件:
参考文献:
Mild deprotection of the N-tert-butyloxycarbonyl (N-Boc) group using oxalyl chloride
George, Nathaniel; et al, RSC Advances, 2020, 10(40), 24017-24026

合成路线:4 步

反应条件:
参考文献:
Staudinger-Ureation: A new and fast reaction for surface post-functionalization
Godeau, Guilhem; et al, Materials Today Communications, 2016, 8, 165-171

合成路线:3 步

反应条件:
参考文献:
Staudinger-Ureation: A new and fast reaction for surface post-functionalization
Godeau, Guilhem; et al, Materials Today Communications, 2016, 8, 165-171

合成路线:4 步

反应条件:
参考文献:
Staudinger-Ureation: A new and fast reaction for surface post-functionalization
Godeau, Guilhem; et al, Materials Today Communications, 2016, 8, 165-171

合成路线:1 步

反应条件:
参考文献:
Production of Amidinyl Radicals via UV-Vis-Light Promoted Reduction of N-Arylthiophene-2-carboxamidoximes and Application to the Preparation of Some New N-Arylthiophene-2-carboxamidines
Mekhemer, Islam M. A. ; et al, ACS Omega, 2020, 5(44), 28712-28721
相关文献
专业数据库参考
PubChemId 87571517
参考资料
Reaxys RN 742779
Beilstein 742779
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