三氯乙烯-D1 | 13291-68-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 三氯乙烯-D1
• 中文别名: 三氯乙烯-D
• 英文名称: deuterium-labeled trichloroethylene
• 英文别名: 2H-trichloroethylene；trichloroethylene-d₁；Trichlor-deuterio-aethylen；Trichlor-deutero-aethylen；1,1,2-Trichlor-deutero-aethylen；Monodeuterotrichlor-aethylen；trichloro-deuterio-ethene；Trichlor-deuterio-aethen；Trichloroethylene-d；1,1,2-trichloro-2-deuterioethene
• CAS: 13291-68-4
• 化学式: C₂HCl₃
• 分子量: 132.381
• InChiKey: XSTXAVWGXDQKEL-MICDWDOJSA-N

物化性质

• 熔点：
  -84.8 °C
• 沸点：
  86.7 °C
• 密度：
  1.474 g/mL at 25 °C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险品标志：
  T
• 安全说明：
  S45,S53,S61
• 危险类别码：
  R45
• WGK Germany：
  3
• 危险品运输编号：
  UN 1710 6.1/PG 3

反应信息

• 作为反应物：
  描述：

  三氯乙烯-D1 在 氯 作用下， 生成 pentachloro-deuterio-ethane
  参考文献：
  名称：

  Rural-Urban Differences in End-of-life Care: The Use of Feeding Tubes

  摘要：

  ABSTRACT:Efforts to improve end‐of‐life care have increased during the past decade. The goals of these efforts include increasing patient autonomy and reducing or more selectively using intensive medical interventions near the end of life. In this light, examination of community‐to‐community variations in end‐of‐life practices may serve to clarify the values and goals of different populations, as well as the roles of patients, families and professionals in bringing about specific patterns of medical care. This study examined the use of feeding tubes among Kansas nursing home residents between Jan. 1, 1994, and June 30, 1998 (n=78,895), using the Minimum Data Set. Residents with very severe, persistent and irreversible cognitive impairment (n =4,847) were included in the study population. The location of nursing homes in urban, midsize and rural counties was an independent variable. Feeding tubes were used in 19.3 percent of the urban nursing home residents, 8.0 percent of the residents in midsize counties and 6.4 percent of the rural residents. The rate of feeding tube use was significantly higher in urban counties for most subpopulations, including men, women, whites, nonwhites, and those eligible and ineligible for Medicaid. The observed rural‐urban differences in feeding tube use near the end of life may be associated with differences in access to surgical or nursing services, differences in the relationships between providers and consumers of care in different communities or differences in rural and urban cultures. Qualitative research may be useful in clarifying the roles of each of these factors.

  DOI：

  10.1111/j.1748-0361.2001.tb00250.x
• 作为产物：
  描述：

  1,1,2,2-四氯乙烷-d2 在 Ca(OD)2 、 重水 作用下， 生成 三氯乙烯-D1
  参考文献：
  名称：

  Leitch; Bernstein, Canadian Journal of Research, Section B: Chemical Sciences, 1950, vol. 28, p. 35

  摘要：

  DOI：

文献信息

• Chloroacetylenes as Michael acceptors. 3. Mechanism and synthetic utility of enolate reactions with halogenated olefins and chloroacetylenes
  作者：Andrew S. Kende、Pawel Fludzinski、John H. Hill

  DOI：10.1021/ja00324a025

  日期：1984.6

  dimethyl-2,6 cyclohexene-2one) avec le trichloroethylene, d'autres ethylenes polyhalogenes et le perchlorobutadiene-1,3. Mecanisme. Lactonisation des adduits perchlorobutenyne. Condensation avec les chloroacetylenes

  缩合 d'enolates（例如 l'enolate de Li de la dimethyl-2,6 cyclohexene-2one） avec le trichloroethylene, d'autres ethylenes polyhalogenes et le perchlorobutadiene-1,3。机制。全氯丁烯的内酯化作用。氯乙炔缩合
• IR spectroscopic study of the dichloromethyl peroxyl radical and its deuterated analogs in the argon matrix
  作者：E. G. Baskir、O. M. Nefedov

  DOI：10.1007/s11172-021-3339-4

  日期：2021.11

  The dichloromethyl peroxyl radical (CHCl2OO•) and its deuterated analog formed in the reaction of the corresponding dichloromethyl radicals with O2 were studied by matrix IR spectroscopy. Dichloromethyl radicals are generated by the pyrolysis of the corresponding dichloromethyl iodides. The previously known spectral data are supplemented by an information about the peroxyl fragment vibrations, and

  通过基质红外光谱研究了相应的二氯甲基自由基与O 2反应形成的二氯甲基过氧自由基(CHCl 2 OO • )及其氘代类似物。二氯甲基自由基是通过相应的二氯甲基碘化物的热解产生的。先前已知的光谱数据由有关过氧化氢碎片振动的信息补充，并且在 1100.2 cm -1处的未识别带可靠地分配给OO键的伸缩振动。它在同位素取代自由基 CHCl 2 18 O 18 O的光谱中移动到 1040.6 cm -1 •被观察到。首次获得了氘取代基CDCl 2 OO •的红外光谱。研究了光气和甲酰氯形成过程中所研究的自由基的光解过程。
• Mechanism of Aqueous Decomposition of Trichloroethylene Oxide
  作者：Hongliang Cai、F. Peter Guengerich

  DOI：10.1021/ja9914240

  日期：1999.12.1

  all pH values. Disappearance of TCE oxide is the rate-determining step for the formation of CO under the conditions studied. The product distribution of CO and three carboxylic acids (HCO2H, Cl2CHCO2H, and glyoxylic acid) did not change considerably over the pH range of −1.5−14, in general, even though the hydrolysis mechanism changes from hydronium ion-dependent to pH-independent. Mechanisms for the

  三氯乙烯 (TCE) 氧化物的水溶液分解显示涉及 pH 无关和水合氢离子依赖区域。C-C 键断裂是所有 pH 值下的主要反应。在所研究的条件下，TCE 氧化物的消失是 CO 形成的速率决定步骤。CO和三种羧酸（HCO2H、Cl2CHCO2H和乙醛酸）的产物分布在-1.5-14的pH范围内没有显着变化，通常，即使水解机制从水合氢离子依赖变为pH无关. 基于 H218O 和 H 掺入的结果以及 TCE 氧化物与赖氨酸在 H216O 和 H218O 中反应的产物的鉴定，阐明了 TCE 氧化物的水合氢离子依赖性和 pH 无关水解的机制。在不依赖 pH 的水解中，
• ORGANIC DEUTERIUM COMPOUNDS: XVII. A SYNTHESIS OF DEUTERATED METHYL CHLOROFORM
  作者：J. E. Francis、L. C. Leitch

  DOI：10.1139/v57-051

  日期：1957.4.1

  1,1,1-Trichloroethane-d3 has been synthesized from trichloroethylene in four steps via trichloroethylene-d, 1,1,1,2-tetrachloroethane-d2, and 1,1-dichloroethylene-d2.

  1,1,1-三氯乙烷-d3 由三氯乙烯通过三氯乙烯-d、1,1,1,2-四氯乙烷-d2 和1,1-二氯乙烯-d2 分四步合成。
• Weak Acidity of Vinyl CH Bonds Enhanced by Halogen Substitution
  作者：Norman C. Craig、Albert R. Matlin

  DOI：10.1021/jo402703v

  日期：2014.2.21

  exchange in ethylenes with halogen substituents, the weak acidity of vinyl CH bonds is enhanced by halogen substitution. Relative rates of exchange in basic deuterium oxide reflect the relative acidities. Substitution in the α position has the strongest effect. Less electronegative halogens such as bromine increase the acidity more than does fluorine. The vinyl CH acid strengths correlate closely with the

  如具有卤素取代基的乙烯中质子-氘核交换的速率所示，乙烯基CH键的弱酸性通过卤素取代得到增强。碱性氘化氢的相对交换速率反映了相对酸度。α位置的取代作用最强。较少的带负电性的卤素（如溴）比氟增加了酸度。如MP2 / cc-pVQZ模型所计算的，乙烯基CH的酸强度与分离的分子去质子化为分离的阴离子的能量密切相关。较小的去质子能与较强的酸有关。使用MP2 / aug-cc-pVQZ模型进行的自然键序分析得出的原子电荷显示，负电荷变得更分散在强酸的阴离子中。