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Butyric acid cyano-methyl-methyl ester | 116704-38-2

中文名称
——
中文别名
——
英文名称
Butyric acid cyano-methyl-methyl ester
英文别名
1-Cyanoethyl butanoate
Butyric acid cyano-methyl-methyl ester化学式
CAS
116704-38-2
化学式
C7H11NO2
mdl
——
分子量
141.17
InChiKey
WDHIQCLTGQCXPI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.1
  • 重原子数:
    10
  • 可旋转键数:
    4
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.71
  • 拓扑面积:
    50.1
  • 氢给体数:
    0
  • 氢受体数:
    3

反应信息

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文献信息

  • Disperse azo dyes, a process for the preparation thereof and the use thereof
    申请人:Huntsman International LLC
    公开号:US10023742B2
    公开(公告)日:2018-07-17
    The present invention relates to azo dyes of formula wherein R1 denotes C1-C12 alkyl which is unsubstituted or substituted by one or more C1-C12 alkoxy groups, hydroxyl groups, amino groups, cyano groups or halogen atoms and which may be interrupted one or more times by the radical —O—, —S—, —NR4—, —COO— or —OOC—; R4 is hydrogen or C1-C12 alkyl; either R2 is cyano and R3 is halogen or R2 is halogen and R3 is cyano; and Ar represents a carbocyclic or heterocyclic aromatic radical, to the process for the preparation thereof, to mixtures containing said dyes and to the use thereof in dyeing or printing semi-synthetic and especially synthetic hydrophobic fiber materials, more especially textile materials.
    本发明涉及式如下的偶氮染料 式中 R1 表示未被取代或被一个或多个 C1-C12 烷氧基、羟基、基、基或卤素原子取代的 C1-C12 烷基,且可被基团 -O-、-S-、-NR4-、-COO- 或 -OOC- 中断一次或多次; R4 是氢或 C1-C12 烷基; R2 是基,R3 是卤素,或者 R2 是卤素,R3 是基;以及 Ar 代表碳环或杂环芳香基、 其制备工艺,含有上述染料的混合物,以及其在半合成,特别是合成疏性纤维材料,尤其是纺织材料的染色或印花中的用途。
  • BABIN, PIERRE;CLIN, BERNARDO;DUNOGUES, JACQUES, BULL. SOC. CHIM. FR.,(1987) N 6, 997-1000
    作者:BABIN, PIERRE、CLIN, BERNARDO、DUNOGUES, JACQUES
    DOI:——
    日期:——
  • Disperse Azo Dyes, A Process for the Preparation Thereof and the Use Thereof
    申请人:Huntsman International LLC
    公开号:US20150197637A1
    公开(公告)日:2015-07-16
    The present invention relates to azo dyes of formula (1), wherein R 1 denotes C 1 -C 12 alkyl which is unsubstituted or substituted by one or more C 1 -C 12 alkoxy groups, hydroxyl groups, amino groups, cyano groups or halogen atoms and which may be interrupted one or more times by the radical —O—, —S—, —COO— or —OOC—: R 4 is hydrogen or C 1 -C 12 alkyl; either R 2 is cyano and R 3 is halogen or R 2 is halogen and R 3 is cyano; and Ar represents a carbocyclic or heterocyclic aromatic radical, to the process for the preparation thereof, to mixtures containing said dyes and to the use thereof in dyeing or printing semi-synthetic and especially synthetic hydrophobic fibre materials, more especially textile materials.
  • US9376570B2
    申请人:——
    公开号:US9376570B2
    公开(公告)日:2016-06-28
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