对氰基氯苄 | 874-86-2
中文名称:
对氰基氯苄
英文名称:
4-(Chloromethyl)benzonitrile
CAS No.:
874-86-2
分子式:
C8 H6 ClN
分子量:
151.592940807343
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:对氰基氯苄结构式
简介
对氰基氯苄是一种化学品,化学式是C8H6ClN。
名称和标识符
MDL
MFCD00019761
InChIKey
LOQLDQJTSMKBJU-UHFFFAOYSA-N
Inchi
1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
SMILES
N#CC1C=CC(CCl)=CC=1
别名信息
- 中文别名 -
对氰基氯苄
4-氰基氯苄
对氰基苄基氯
4-氰基苄氯
4-(氯甲基)苯甲腈
4-(氯甲基)苄腈
4-Cyanobenzyl Chloride; 4-氰基苄氯
4-氰基苄氯-J
对氯甲基苯甲腈
α-氯对甲基苯腈
对氰基氯苄874-86-2原料
对氰基氯苄厂商
- 英文别名 -
4-(Chloromethyl)benzonitrile
4-CYANOBENZYL CHLORIDE
AKOS B030136
ALPHA-CHLORO-P-TOLUNITRILE
P-(CHLOROMETHYL)BENZONITRILE
P-CYANOBENZYL CHLORIDE
Benzonitrile, 4-(chloromethyl)-
à-chloro-p-tolunitrile
p-Cyanobenzylchlorid
4-(Chloromethyl)tolunitrile
4-(chloromethyl)benzenecarbonitrile
4-(CHLOROMETHYL)-BENZONITRILE
4-(Chloromethyl)tolunitril
4-Chloromethylbenzonitrile
4-Chloromethyl-benzonitrile
α-Chloro-p-tolunitrile
4-(Chloromethyl)benzonitrile (ACI)
p-Tolunitrile, α-chloro- (6CI, 7CI, 8CI)
(4-Cyanophenyl)methyl chloride
4-(Chloromethyl)benzeneacetonitrile
4-Cyanobenzyl chloride
NSC 44855
NSC 6307
p-(Chloromethyl)benzonitrile
p-Cyanobenzyl chloride
α-Chloro-p-cyanotoluene
α-Chloro-p-toluonitrile
4-(Chloromethyl)benzonitrile,98%
物化性质
实验特性
LogP
2.29708
PSA
23.79000
折射率
1.551
沸点
263°C(lit.)
熔点
78.0 to 82.0 deg-C
蒸气压
0.0±0.6 mmHg at 25°C
闪点
120.2±17.6 °C
颜色与性状
白色针状结晶,具刺激性气味、皮肤接触有辛辣感。
溶解性
易溶于乙醇、氯仿、丙酮、甲苯等有机溶剂
密度
1.1800
计算特性
精确分子量
151.01900
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
1
同位素质量
151.019
重原子数量
10
复杂度
139
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)
2
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
23.8A^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.
Photoinduced reductive cleavage of some chlorobenzylic compounds. New insights from comparison with electrochemically induced reactions
Julien Bonin,Cyrille Costentin,Mathilde Mahet,Jean-Baptiste Mulon,Marc Robert Phys. Chem. Chem. Phys. 2009 11 10275
2.
20. A chemotherapeutic comparison of the trypanocidal action of some aromatic diamidines
J. N. Ashley,H. J. Barber,A. J. Ewins,G. Newbery,A. D. H. Self J. Chem. Soc. 1942 103
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Photoinduced benzylation of 1,4-dimethoxynaphthalene by benzyl halides
Angelo Albini,Enrico Siviero,Mariella Mella,Conor Long,Albert Pratt J. Chem. Soc. Perkin Trans. 2 1995 1895
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112. Attempts to find new chemotherapeutic amidines. Part III. Nuclear substituted derivatives of 4 : 4′- and 3 : 3′-diamidinostilbene
J. N. Ashley,J. O. Harris J. Chem. Soc. 1946 567
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The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers
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I. S. Hosu,M. Sobaszek,M. Ficek,R. Bogdanowicz,H. Drobecq,L. Boussekey,A. Barras,O. Melnyk,R. Boukherroub,Y. Coffinier Nanoscale 2017 9 9701
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参考资料
Reaxys RN
742357
Beilstein
742357
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