苄异腈 | 10340-91-7
苄异腈
Benzyl Isocyanide
10340-91-7
C8H7N
117.15
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:苄异腈结构式
名称和标识符
MDL |
MFCD00000004 |
InChIKey |
RIWNFZUWWRVGEU-UHFFFAOYSA-N |
Inchi |
InChI=1S/C8H7N/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2 |
SMILES |
[C-]#[N+]CC1=CC=CC=C1 |
别名信息
- 中文别名 -
- 苄异腈
- 苄基异腈
- 3-[2-羟基-3-[4-(2-甲氧基乙基)苯氧基]丙氧基]-1-异丙基氨基丙醇
- Benzyl Isocyanide 苄异腈
- 苄基异氰酸酯
- 英文别名 -
- Benzene,(isocyanomethyl)-
- HANSA ISN-0155
- BENZYL ISOCYANIDE
- BENZYL ISONITRILE
- BIO-FARMA BF000644
- Benzyl carbylamine
- Phenylmethyl isocyanide
- Benzyl lsocyanide
- 1-(isocyanomethyl)benzene
- EN300-257838
- MFCD00000004
- A934910
- Benzyl isocyanide
- EINECS 233-738-9
- SCHEMBL168131
- A18033
- InChI=1/C8H7N/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H
- CS-M2850
- (benzylimino)methylidene
- benzylisonit-rile
- UEU57DSL26
- CS-13439
- B2185
- FT-0636686
- UNII-UEU57DSL26
- GEO-02805
- isocyanomethylbenzol
- J-000960
- isocyanomethyl-benzene
- Isocyanomethylbenzene
- Benzene, isocyanomethyl-
- 10340-91-7
- DTXSID50145819
- benzylisonitrile
- NS00054791
- (isocyanomethyl)benzene
- AKOS001476193
- BenzylIsocyanide
- Benzyl isonitrile
- NS-01021
物化性质
实验特性
LogP |
1.33660 |
PSA |
0.00000 |
折射率 |
n20/D 1.521(lit.) |
沸点 |
106°C/75mmHg(lit.) |
熔点 |
No data available |
蒸气压 |
No data available |
闪点 |
175 °F |
颜色与性状 |
无色-淡黄色液体 |
溶解性 |
无可用 |
密度 |
0.962 g/mL at 25 °C(lit.) |
计算特性
精确分子量 |
117.05800 |
氢键供体数量 |
0 |
氢键受体数量 |
0 |
可旋转化学键数量 |
1 |
同位素质量 |
117.058 |
重原子数量 |
9 |
复杂度 |
114 |
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) |
无 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
4.4A^2 |
海关数据
海关编码 |
2926909090 |
海关数据 |
中国海关编码:
2926909090
概述:
2926909090 其他腈基化合物. 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:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
|
相关文献
-
1.
One-pot synthesis of highly substituted poly(furopyrimidine)s via catalyst-free multicomponent polymerizations of diisocyanides, N,N′-dimethylbarbituric acid, and dialdehyde
Lichao Dong,Nan Li,Hang Yuan,Meng Wu RSC Adv. 2022 12 6347
-
2.
Nitriles and isonitriles as interferents in cyanide determination in polluted waters
Roser Rubio,Ma. Teresa Galceran,Gemma Rauret Analyst 1990 115 959
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3.
Opposite trans-effects of benzyl isocyanide in heme models
I. W. Pang,Kowsill Singh,Dennis V. Stynes J. Chem. Soc. Chem. Commun. 1976 132
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4.
A methanol and protic ionic liquid Ugi multicomponent reaction path to cytotoxic α-phenylacetamido amides
Ahmed Al Otaibi,Fiona M. Deane,Cecilia C. Russell,Lacey Hizartzidis,Siobhann N. McCluskey,Jennette A. Sakoff,Adam McCluskey RSC Adv. 2019 9 7652
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A cooperative water effect in proazaphosphatrane-catalysed heterocycle synthesis
Mark A. Honey,Yasuhiro Yamashita,Shū Kobayashi Chem. Commun. 2014 50 3288
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6.
Investigation of the Passerini and Ugi reactions in β-lactam aldehydes. Synthetic applications
Benito Alcaide,Pedro Almendros,Cristina Aragoncillo,Ricardo Callejo,M. Pilar Ruiz,M. Rosario Torres Org. Biomol. Chem. 2015 13 1387
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7.
Intramolecular cyclization of imidazo[1,2-a]pyridines via a silver mediated/palladium catalyzed C–H activation strategy
Debasmita Saha,Anupreet Kharbanda,Nkeseobong Essien,Lingtian Zhang,Rose Cooper,Debasish Basak,Samantha Kendrick,Brendan Frett,Hong-yu Li Org. Chem. Front. 2019 6 2234
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8.
Using coligands to gain mechanistic insight into iridium complexes hyperpolarized with para-hydrogen
Ben. J. Tickner,Richard O. John,Soumya S. Roy,Sam J. Hart,Adrian C. Whitwood,Simon B. Duckett Chem. Sci. 2019 10 5235
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9.
Isocyanate and carbodiimide synthesis by nitrene-group-transfer from a nickel(ii) imido complex
Daniel J. Mindiola,Gregory L. Hillhouse Chem. Commun. 2002 1840
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10.
Palladium-catalyzed cross-coupling reaction of azides with isocyanides
Zhen Zhang,Zongyang Li,Bin Fu,Zhenhua Zhang Chem. Commun. 2015 51 16312
参考资料
Reaxys RN |
3539870 |
Beilstein |
12(4)2219 |
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