异氰酸酯 | 75-13-8
中文名称:
异氰酸酯
英文名称:
isocyanic acid
CAS No.:
75-13-8
分子式:
CHNO
分子量:
43.02474
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:异氰酸酯结构式
名称和标识符
InChIKey
OWIKHYCFFJSOEH-UHFFFAOYSA-N
Inchi
InChI=1S/CHNO/c2-1-3/h2H
SMILES
N=C=O
别名信息
- 英文别名 -
isocyanic acid
HNCO
Hydrogen isocyanate
Polyisocyanates
Isocyanic acid(6CI,8CI,9CI)
imino-ketone
isocianic acid
isocyansaeure
isozyansaeure
oxidoazanediidocarbon
Q27110285
H N C O
FT-0745767
Q25774
OWIKHYCFFJSOEH-UHFFFAOYSA-N
75-13-8
CHEBI:29202
QKG6U31925
HN=C=O
ISOCYANIC ACID [MI]
Isocyanic acid
Epitope ID:122970
[C(NH)O]
DTXSID9073884
UNII-QKG6U31925
物化性质
实验特性
LogP
0.00070
PSA
40.92000
折射率
1.4300 (estimate)
沸点
41.91°C (rough estimate)
熔点
-86 °C
密度
1.04
计算特性
精确分子量
43.00580
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
0
同位素质量
43.005814
重原子数量
3
复杂度
27.8
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)
1
互变异构体数量
2
表面电荷
0
拓扑分子极性表面积
40.9
海关数据
海关编码
2933699090
海关数据
中国海关编码:
2933699090
概述:
2933699090 其他结构上含非稠合三嗪环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933699090 other compounds containing an unfused triazine ring (whether or not hydrogenated) in the structure。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%
相关文献
1.
Thermodynamics and reaction mechanism of urea decomposition
Steffen Tischer,Marion B?rnhorst,Jonas Amsler,Günter Schoch,Olaf Deutschmann Phys. Chem. Chem. Phys. 2019 21 16785
2.
Cooperative hydrogen bonds form a pseudocycle stabilizing an isolated complex of isocyanic acid with urea
John C. Mullaney,Chris Medcraft,David P. Tew,Luke Lewis-Borrell,Bernard T. Golding,Nicholas R. Walker,Anthony C. Legon Phys. Chem. Chem. Phys. 2017 19 25080
3.
Vapour phase photolysis of isocyanic acid
J. N. Bradley,J. R. Gilbert,P. Svejda Trans. Faraday Soc. 1968 64 911
4.
Preparation and properties of isocyanic acid
D. J. Belson,A. N. Strachan Chem. Soc. Rev. 1982 11 41
5.
CHNO isomers and derivatives – a computational overview
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6.
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8.
Toxicity of exhaust particulates and gaseous emissions from gasohol (ethanol blended gasoline)-fuelled spark ignition engines
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9.
CCXLV.—The condensation of aromatic o-aminosulphonic acids with isocyanic acid
John Richard Scott,Julius Berend Cohen J. Chem. Soc. Trans. 1922 121 2034
10.
The thermal decomposition of azodicarbonamide (1,1′-azobisformamide)
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