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Merck
CN
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文件

安全信息

901000

Sigma-Aldrich

1,4-立方烷二羧酸

≥97%

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别名:
(1S,2R,3R,4S,5R,6S,7S,8S)-Cubane-1,4-dicarboxylic acid, Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid
经验公式（希尔记法）:
C10H8O4
CAS号:
32846-66-5
分子量:
192.17
UNSPSC代码:
12352106
NACRES:
NA.22

质量水平

100

检测方案

≥97%

形式

powder

mp

224 °C

SMILES字符串

OC([C@]12[C@H]3[C@H]4[C@@H]1[C@H]5[C@@]4(C(O)=O)[C@H]3[C@@H]52)=O

InChI

1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14)

InChI key

JFKXMJUMOJJTCQ-UHFFFAOYSA-N

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相关类别

应用

1,4-Cubanedicarboxylic acid can undergo esterification with alkylsulfuric acids. The acid and its ester derivatives are also capable of undergoing fluorination with elemental fluorine. This product was previously listed as BML00135.

其他说明

NMR study on the interaction of 1, 4-cubanedicarboxylic acid and its esters with elemental fluorine. The synthesis of dimethyl 2-fluorocubane-1, 4-dicarboxylate.
Cubane derivatives 1. Synthesis and molecular structures of the esters of 1, 4-cubanedicarboxylic acid.

象形图

Skull and crossbones
GHS06

警示用语：

Danger

危险声明

H301

预防措施声明

P301 + P330 + P331 + P310

危险分类

Acute Tox. 3 Oral

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

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Cubane derivatives 1. Synthesis and molecular structures of the esters of 1,4-cubanedicarboxylic acid.
Eremenko LT, et al.
Russian Chemical Bulletin, 43, 619-623 (1994)
L T Eremenko et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 57(8), 1663-1672 (2001-07-27)
Elemental fluorine can be successfully used for fluorination of cubane derivatives. The nature of the products depends on the fluorination conditions: in CH3CN at -20 to -30 degrees C, dimethyl 2-fluorocubane-1,4-dicarboxylate was obtained from dimethyl ester of 1,4-cubanedicarboxylic acid; in

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