2,2'-氧基二[2-氯丙烷] | 39638-32-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 中文名称: 2,2'-氧基二[2-氯丙烷]
• 英文名称: dichlorodiisopropyl ether
• 英文别名: bis(2-chloroisopropyl) ether；chloroisopropyl ether；methylchloroethyl ether；di(chloroisopropyl) ether；Bis(2-chloroisopropyl)ether；2-chloro-2-(2-chloropropan-2-yloxy)propane
• CAS: 39638-32-9
• 化学式: C₆H₁₂Cl₂O
• mdl: MFCD00152274
• 分子量: 171.067
• InChiKey: BULHJTXRZFEUDQ-UHFFFAOYSA-N

物化性质

• 熔点：
  -96.8-101.8 °C
• 沸点：
  187.3 °C
• 密度：
  1.1122 g/cm3
• 物理描述：
  Bis(2-chloroisopropyl) ether is a colorless liquid. Insoluble in water. Combustible.
• 闪点：
  185 °F (NTP, 1992)
• 溶解度：
  WATER SOLUBLE
• 蒸汽密度：
  5.9 (Air=1)
• 蒸汽压力：
  0.71 - 0.85 mm Hg at 20 °C
• 稳定性/保质期：

  FAIRLY STABLE IN AQUEOUS MEDIA

• 折光率：
  Refractive index: 1.4451 at 25 °C.
• 保留指数：
  1023;1029;1034.8

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

代谢

雄性大鼠单次口服给予90毫克/千克的（14）碳标记的 bis(2-氯异丙基)醚。尿液中鉴定的代谢物是2-(2-氯-1-甲基乙氧基)丙酸，约占36%和N-乙酰-S-(2-羟基丙基)-L-半胱氨酸，约占19%。

MALE RATS WERE GIVEN SINGLE ORAL DOSES OF (14)CARBON LABELED BIS(2-CHLOROISOPROPYL) ETHER AT 90 MG/KG. METABOLITES IDENTIFIED IN URINE WERE 2-(2-CHLORO-1-METHYLETHOXY)PROPANOIC ACID, APPROX 36% & N-ACETYL-S-(2-HYDROXYPROPYL)-L-CYSTEINE AT 19%.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 副作用

神经毒素 - 急性溶剂综合症

Neurotoxin - Acute solvent syndrome

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 非人类毒性摘录

BIS(2-氯异丙基)醚被包含在饮用水中识别出的各种化学物质中。为了确定其致突变性，对小鼠进行了可遗传的易位测试。成年雄性小鼠通过灌胃方式接受治疗，每天一次，持续8周，分为3个剂量水平。参考对照组也包括在内，以及饮用含有三乙基亚硝胺的水4周的阳性对照组。治疗后，每只雄性与2只处女雌性交配以产生F1代，F1代的雄性被养育至成熟。每个处理组选取100只F1雄性，每只与3只处女雌性交配。对怀孕的雌性根据预先确定的选择标准进行评估，以识别可疑的F1雄性。可疑的F1雄性再次与3只额外的处女雌性交配。经过2次繁殖后的假定F1雄性进行了细胞遗传学检查。所有繁殖数据都进行了评估并与细胞遗传学检查结果相关联。初步评估表明，没有发生可遗传的易位。

BIS(2-CHLOROISOPROPYL) ETHER IS INCLUDED AMONG VARIOUS CHEM IDENTIFIED IN DRINKING WATER. HERITABLE TRANSLOCATION TESTS IN MICE CONDUCTED TO DETERMINE MUTAGENICITY. ADULT MALE MICE WERE TREATED BY GAVAGE, DAILY FOR 8 WK, AT 3 DOSE LEVELS. REFERENCE CONTROLS WERE INCL AS WELL AS POSITIVE CONTROLS RECEIVING TRIETHYLENE MELAMINE IN DRINKING WATER FOR 4 WK. AFTER TREATMENT, EACH MALE WAS MATED TO 2 VIRGIN FEMALES TO PRODUCE AN F1 GENERATION, THE MALES OF WHICH WERE RAISED TO MATURITY. 100 F1 MALES PER TREATMENT GROUP WERE SELECTED & BRED TO 3 VIRGIN FEMALES EACH. PREGNANT FEMALES WERE EVALUATED AGAINST PREDETERMINED SELECTION CRITERIA TO IDENTIFY SUSPECT F1 MALES. SUSPECT F1 MALES WERE REBRED TO 3 ADDNL VIRGIN FEMALES EACH. PRESUMPTIVE F1 MALES AFTER 2 BREEDINGS WERE EXAM CYTOGENETICALLY. ALL BREEDING DATA WERE EVALUATED & CORRELATED WITH CYTOGENETIC EXAMINATIONS. PRELIMINARY EVALUATION SUGGESTS THAT HERITABLE TRANSLOCATIONS DID NOT OCCUR.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

在沙门氏菌伤寒杆菌TA 1535和TA 100中，当在悬浮液或干燥器中测试时，虽然在不加S-9混合物的情况下具有诱变性，但加入S-9混合物（包括从人肝制备的S-9混合物）后，诱变活性显著增强。

WHILE MUTAGENIC IN SALMONELLA TYPHIMURIUM TA 1535 & TA 100 WHEN TESTED IN SUSPENSION OR IN DESICCATORS & NOT REQUIRING S-9 MIX, THE MUTAGENIC ACTIVITY WAS SIGNIFICANTLY ENHANCED BY S-9 MIX (INCL AN S-9 MIX PREPD FROM HUMAN LIVER).

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

... 在其他研究中，暴露于被认为基本饱和了二氯异丙基醚的大气中的大鼠出现了立即的眼部刺激和不协调的迹象；导致无死亡的 最大暴露时间为1小时。当大鼠暴露于700 ppm时，暴露6小时后发生死亡。尸检发现轻微的肺部刺激和中等至严重的肝脏损伤。在350 ppm下暴露6小时后，所有10只大鼠存活，但在8小时暴露后，五只中的两只死亡。这些动物表现出中度的肺充血和一些肝脏坏死。在175 ppm下暴露8小时后，四只动物中有一只死亡。

... In other studies, rats exposed to an atmosphere believed to be essentially saturated with dichloroisopropyl ether exhibited signs of immediate eye irritation and incoordination; the maximum exposure time causing no death was 1 hr. When rats were exposed to 700 ppm, deaths occurred after 6 hr of exposure. Autopsy revealed slight lung irritation and moderate to severe liver damage. All 10 rats survived a 6 hr exposure to 350 ppm but two of five died after an 8-hr exposure. These animals exhibited moderate lung congestion and some liver necrosis. One of four animals died after an 8 hr exposure to 175 ppm.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

大鼠吸入计量蒸汽浓度：1.0 ppm/4小时，死亡率（1/6）。/来自表格/

Inhalation of metered vapor concentration by rats: 1.0 ppm/4 hr, mortality (1/6). /From table/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

雄性大鼠单次口服给予90毫克/千克的（14）碳标记的双（2-氯异丙基）醚。在接下来的48小时内监测（14）CO2的呼出和尿液中（14）碳的排泄。消除一半剂量的时间需要19小时。在单次口服给药后的48小时内，20.3%的剂量以（14） 形式呼出，47.5%以尿液中的（14）碳形式排出，3.8%以粪便中的（14）碳形式排出。

MALE RATS WERE GIVEN SINGLE ORAL DOSES OF (14)CARBON LABELED BIS(2-CHLOROISOPROPYL) ETHER AT 90 MG/KG. EXCRETION OF (14)CO2 & URINARY (14)CARBON FOLLOWED FOR 48 HR. TIME REQUIRED TO ELIMINATE 0.5 OF DOSE WAS 19 HR. DURING THE 48 HR FOLLOWING A SINGLE ORAL DOSE. 20.3% OF DOSE WAS EXPIRED AS (14)CO2, 47.5% AS URINARY (14)CARBON & 3.8% AS FECAL (14)CARBON.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  2,2'-氧基二[2-氯丙烷] 在 水 、 三乙胺 作用下， 以 乙醚 、 丙酮 为溶剂， 以81 %的产率得到1,1,3,3-四甲基-1,3-二硅氧烷二醇
  参考文献：
  名称：

  磺基甜菜碱硅氧烷：一类自毁性表面活性剂

  摘要：

  通过比较该表面活性剂亚类中的同系物 (R-(CH 2 ) 3 N + (Me) 2 (CH 2 ) 3 SO 3 – ; R = (Me 3 SiO) 来研究磺基甜菜碱-硅氧烷表面活性剂的水解敏感性) 3 Si-、(Me 3 SiO) 2 Si(Me)-、(Me 2 SiO) 3 -Si(Me)-) 与类似系列的氧乙烯硅氧烷表面活性剂 (R-(CH 2 ) 3 (OCH 2 CH 2 ) 10.2 OH；R＝(Me 3 SiO) 3 Si-、(Me 3 SiO) 2 Si(Me)-、(Me 2 SiO) 3 -Si(Me)-)。对水溶液中这些表面活性剂的核磁共振（NMR）监测表明，与氧乙烯-硅氧烷类似物对照实验相比，磺基甜菜碱头部结构的存在大大提高了硅氧烷尾部的水解速率。通过将模型化合物 (Me) 3 N + (CH 2 ) 3 SO 3 –添加到氧乙烯硅氧烷表面活性剂并观察到水解的大幅增强，证实了磺基甜菜碱效应。

  DOI：

  10.1021/acs.langmuir.3c03735

文献信息

• ORGANIC COMPOUND, THREE-DIMENSIONAL ORGANIC FRAMEWORK FORMED BY USING ORGANIC COMPOUND, SEPARATION SIEVE AND OPTICAL LAYER, WHICH COMPRISE ORGANIC FRAMEWORK, AND OPTICAL DEVICE COMPRISING OPTICAL LAYER AS OPTICAL AMPLIFICATION LAYER
  申请人：INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY

  公开号：US20190031586A1

  公开（公告）日：2019-01-31

  An organic compound, a three-dimensional organic structure formed by using the organic compound, a separation sieve and an optical layer having the organic structure, and an optical device having the optical layer as an optical amplification layer are provided. The organic structure includes a plurality of organic molecules self-assembled by non-covalent bonding. Each of the unit organic molecules has an aromatic ring, a first pair of substituents being connected to immediately adjacent positions of substitutable positions of the aromatic ring, and a second pair of substituents being connected to immediately adjacent positions of remaining substitutable positions of the aromatic ring. The unit organic molecules are self-assembled by van der Waals interaction, London dispersion interaction or hydrogen bonding between the first and the second pairs of the substituents and by pi-pi interactions between the aromatic rings.

  提供一种有机化合物，通过使用该有机化合物形成的三维有机结构、分离筛和具有该有机结构的光学层，以及具有光学层作为光学放大层的光学器件。该有机结构包括通过非共价键自组装的多个有机分子。每个单元有机分子具有芳香环，第一对取代基连接到芳香环的可取代位置的相邻位置，第二对取代基连接到芳香环的剩余可取代位置的相邻位置。单元有机分子通过范德华力相互作用、伦敦分散相互作用或氢键作用于第一和第二对取代基之间的π-π相互作用而自组装。
• Process for cleaving aliphatic ether compounds
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0287007A2

  公开（公告）日：1988-10-19

  Aliphatic ether compounds are cleaved by reacting them with acid halides in the presence of a Lewis acid catalyst. The aliphatic ethers have at least one halogen atom in a beta-position to the oxygen atom. The corresponding esters and halides having the unreacted beta-halogen atom(s) are produced.

  脂肪族醚化合物是在路易斯酸催化剂的作用下与酸性卤化物发生反应而裂解的。脂肪族醚中至少有一个卤原子位于氧原子的 beta 位置。生成的相应酯类和卤化物具有未反应的β-卤素原子。
• Methods of producing solid fuel using low ash, low sulfur coal replacement from fast pyrolysis of biomass
  申请人：Iowa State University Research Foundation, Inc.

  公开号：US10457882B2

  公开（公告）日：2019-10-29

  The present invention is directed to a method of producing a solid fuel which includes providing a bio-oil and thermally curing the bio-oil to form a carbonaceous solid. The present invention is also directed to a method of producing a solid fuel which includes providing a bio-oil; subjecting the bio-oil to an extraction procedure with an aqueous liquid to produce a concentrated pyrolytic sugar-containing extract and a water insoluble raffinate comprising a lignin-derived phenolic oil; and thermally curing the phenolic oil to form a carbonaceous solid.

  本发明涉及一种生产固体燃料的方法，该方法包括提供生物油，并对生物油进行热固化以形成碳质固体。本发明还涉及一种生产固体燃料的方法，该方法包括提供一种生物油；将该生物油与一种水性液体进行萃取程序，以产生一种浓缩的含热解糖萃取物和一种不溶于水的由木质素衍生的酚油组成的萃取物；以及热固化该酚油以形成一种碳质固体。
• Organic compound, three-dimensional organic framework formed by using organic compound, separation sieve and optical layer, which comprise organic framework, and optical device comprising optical layer as optical amplification layer
  申请人：INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY

  公开号：US11066351B2

  公开（公告）日：2021-07-20

  An organic compound, a three-dimensional organic structure formed by using the organic compound, a separation sieve and an optical layer having the organic structure, and an optical device having the optical layer as an optical amplification layer are provided. The organic structure includes a plurality of organic molecules self-assembled by non-covalent bonding. Each of the unit organic molecules has an aromatic ring, a first pair of substituents being connected to immediately adjacent positions of substitutable positions of the aromatic ring, and a second pair of substituents being connected to immediately adjacent positions of remaining substitutable positions of the aromatic ring. The unit organic molecules are self-assembled by van der Waals interaction, London dispersion interaction or hydrogen bonding between the first and the second pairs of the substituents and by pi-pi interactions between the aromatic rings.

  本文提供了一种有机化合物、利用该有机化合物形成的三维有机结构、具有该有机结构的分离筛和光学层，以及具有该光学层作为光放大层的光学设备。有机结构包括多个通过非共价键自组装的有机分子。每个单元有机分子都有一个芳香环，第一对取代基连接到芳香环可取代位置的紧邻位置，第二对取代基连接到芳香环其余可取代位置的紧邻位置。通过第一对和第二对取代基之间的范德华相互作用、伦敦色散相互作用或氢键作用，以及芳香环之间的π-π相互作用，单元有机分子得以自组装。
• Microcapsules containing a hydrophobic, volatile substance
  申请人：KUREHA KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0142242B1

  公开（公告）日：1988-07-27

表征谱图