2-(3-氯丙基)-1,3-二噁戊环 | 16686-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 中文名称: 2-(3-氯丙基)-1,3-二噁戊环
• 中文别名: 4-氯丁醛乙烯基乙缩醛；2-(3-氯丙基)-1,3-二氧杂环戊烷；2-(3-氯丙基)-1,3-二氧五环
• 英文名称: 2-(3-chloropropyl)-1,3-dioxolane
• CAS: 16686-11-6
• 化学式: C₆H₁₁ClO₂
• mdl: MFCD00043135
• 分子量: 150.605
• InChiKey: ZBPUNVFDQXYNDY-UHFFFAOYSA-N

物化性质

• 熔点：
  80℃
• 沸点：
  93-94 °C/12 mmHg (lit.)
• 密度：
  1.142 g/mL at 20 °C (lit.)
• 闪点：
  79 °C
• 稳定性/保质期：

  按规定使用不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932999099
• WGK Germany：
  3
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H227,H315,H319,H335
• 储存条件：
  请将药品存放在密闭、阴凉、干燥的地方。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2-(3-Chloropropyl)-1,3-dioxolane
CAS-No. : 16686-11-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
Caution - substance not yet tested completely.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : 4-Chlorobutyraldehyde ethylene acetal
Formula : C6H11ClO2
Molecular Weight : 150,6 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid breathing vapors, mist or gas. Remove all sources of ignition. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13). Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: clear, liquid
Colour: colourless
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 93 - 94 °C at 16 hPa
boiling range
g) Flash point 79 °C - closed cup
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 1,142 g/mL at 20 °C
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
This combustible material may be burned in a chemical incinerator equipped with an afterburner and
scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  2-(3-氯丙基)-1,3-二噁戊环 在 一水合肼 作用下， 以 甲醇 为溶剂， 生成 1,4,5,6-四氢哒嗪
  参考文献：
  名称：

  1-(3-heterocyclyphenyl)-S-triazine-2,6,6-oxo or thiotrione herbicidal

  摘要：

  提供一种具有结构式I的1-(3-杂环苯基)-s-三嗪-2,4,6-氧或硫代酮化合物。进一步提供了一种包含该化合物的组合物和方法，用于控制不良植物物种。

  公开号：

  US05726126A1
• 作为产物：
  描述：

  4-氯丁醛 、 乙二醇 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 2-(3-氯丙基)-1,3-二噁戊环
  参考文献：
  名称：

  Synthesis of the tricyclic ABC ring subunit of mazamine A

  摘要：

  A new approach to the construction of the pyrrolo[2,3-i] isoquinoline, the core structure of manzamine A, is described. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00333-0

文献信息

• New cyclic phosphonium salts derived from the reaction of phosphine-aldehydes with acid
  作者：Alexandre A. Mikhailine、Paraskevi O. Lagaditis、Peter E. Sues、Alan J. Lough、Robert H. Morris

  DOI：10.1016/j.jorganchem.2010.04.016

  日期：2010.6

  Various cyclic phosphonium structures are formed in high yield by the deprotection of unstable phosphine-aldehydes in acidic solution. When there is a methylene spacer between the phosphine and the aldehyde, a phosphonium ion [PHR2CH2CH(OEt)2]Br2, R=iPrOH, Et is obtained. Reaction of these phosphonium salts with water produces the dimers [–PR2CH2CH(OH)–]2[Br]2 R = iPr, Et. When there is an ethylene

  通过将不稳定的膦醛在酸性溶液中脱保护，可以高产率形成各种环状结构。当在膦和醛之间存在亚甲基间隔基时，获得ion离子[PHR 2 CH 2 CH（OEt）2 ] Br 2，R ＝ iPrOH，Et。这些phospho盐与水反应生成二聚体[–PR 2 CH 2 CH（OH）–] 2 [Br] 2  R =  i Pr，Et。如PPh 2 CH 2 CH 2 CH（OCH 2 CH 2O），一种具有16元环[-PPh 2 CH 2 CH 2 CH（OH）–] 4 [Cl] 4的显着四聚体，在盐酸溶液中形成为一种非对映异构体。HCl与受保护的膦醛与丙烯间隔基（PPh 2 CH 2 CH 2 CH 2 CH（OCH 2 CH 2 O））的反应导致形成单体phospho盐[–PPh 2 CH 2 CH 2 CH 2具有5元环的CH（OH）–] Cl。使用X射线衍射实验确定了不同环类型的固态结构。
• Circular dichroism of steroidal and related cisoid α,β-unsaturated ketones. Part I.
  作者：Jadwiga Frelek、Wojciech J. Szczepek、Hans Peter Weiß

  DOI：10.1016/s0957-4166(00)86086-3

  日期：1993.3

  Some steroidal and related cisoid conjugated enones have been synthesized and their circular dichroism (CD) has been investigated. The relation between structure and observed Cotton effects (CE's) is discussed in terms of previously published rules. It is shown that CD spectra of these compounds are influenced by substituents located in the allylic axial or equatorial as well as α′-axial or equatorial

  已经合成了一些甾体和相关的类固醇共轭烯酮，并且已经研究了它们的圆二色性（CD）。结构和观察到的棉花效应（CE's）之间的关系是根据以前发布的规则进行讨论的。结果表明，这些化合物的CD光谱受位于烯丙基轴向或赤道以及α'轴向或赤道位置的取代基的影响。
• Agents for treatment of brain ischemia
  申请人：Bristol-Myers Squibb Co.

  公开号：US04994460A1

  公开（公告）日：1991-02-19

  A series of 5-halopyrimidin-2-ylpiperazinylalkyl derivatives having useful anti-ischemic properties for treatment and prevention of dirorders resulting from brain and/or spinal cord anoxia.

  一系列具有有用的抗缺血特性的5-卤代嘧啶-2-基哌嗪基烷基衍生物，用于治疗和预防由脑部和/或脊髓缺氧引起的疾病。
• Tandem Brønsted Acid Promoted and Nazarov Carbocyclizations of Enyne Acetals to Hydroazulenones
  作者：Luz Escalante、Carlos González-Rodríguez、Jesús A. Varela、Carlos Saá

  DOI：10.1002/anie.201205823

  日期：2012.12.3

  Ring the changes: Enyne acetals were easily converted into hydroazulene skeletons by a new and efficient metal‐free route involving a Brønsted acid promoted carbocyclization and a subsequent stereospecific Nazarov cyclization (see scheme). The versatility of this transformation also allowed assembly of interesting heteroaromatic tricyclic systems.

  把握住变化：通过一种新的有效的无金属途径，包括布朗斯台德酸促进的碳环化和随后的立体定向纳扎罗夫环化，可以轻松地将乙炔乙缩醛转化为氢杂氮烯骨架（参见方案）。这种转化的多功能性还允许组装有趣的杂芳族三环系统。
• Sulfonamide endothelin antagonists
  申请人：Bristol-Myers Squibb Co.

  公开号：US05378715A1

  公开（公告）日：1995-01-03

  Compounds of the formula ##STR1## inhibit endothelin, wherein: one of X and Y is N and the other is O; R is naphthyl or naphthyl substituted with R.sup.1, R.sup.2 and R.sup.3 ; R.sup.1, R.sup.2 and R.sup.3 are each independently hydrogen; alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyl, aryl, or aralkyl, any of which may be substituted with Z.sup.1, Z.sup.2 and Z.sup.3 ; halo; hydroxyl; cyano; nitro; --C(O)H; --C(O)R.sup.6 ; CO.sub.2 H; --CO.sub.2 R.sup.6 ; --SH; --S(O).sub.n R.sup.6 ; --S(O).sub.m --OH; --S(O).sub.m --OR.sup.6 ; --O--S(O).sub.m --R.sup.6 ; --O--S(O).sub.m OH; --O--S(O).sub.m --OR.sup.6 ; --Z.sup.4 --NR.sup.7 R.sup.8 ; or --Z.sup.4 --N(R.sup.11)--Z.sup.5 --NR.sup.9 R.sup.10 ; R.sup.4 and R.sup.5 are each independently hydrogen; alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyl, aryl, or aralkyl, any of which may be substituted with Z.sup.1, Z.sup.2 and Z.sup.3 ; halo; hydroxyl; cyano; nitro; --C(O)H; --C(O)R.sup.6 ; --CO.sub.2 H; --CO.sub.2 R.sup.6 ; --SH, --S(O).sub.n R.sup.6 ; --S(O).sub.m --OH; --S(O).sub.m --OR.sup.6 ; --O--S(O).sub.m --R.sup.6 ; --O--S(O).sub.m OH; --O--S(O).sub.m --OR.sup.6 ; --Z.sup.4 --NR.sup.7 R.sup.8 ; --Z.sup.4 --N(R.sup.11)--Z.sup.5 --NR.sup.9 R.sup.10 ; or R.sup.4 and R.sup.5 together are alkylene or alkenylene (either of which may be substituted with Z.sup.1, Z.sup.2 and Z.sup.3), completing a 4- to 8-membered saturated, unsaturated or aromatic ring together with the carbon atoms to which they are attached.

  ##STR1##的化合物抑制内皮素，其中：X和Y中的一个是N，另一个是O；R是萘基或被R.sup.1，R.sup.2和R.sup.3取代的萘基；R.sup.1，R.sup.2和R.sup.3分别独立地是氢；烷基，烯基，炔基，烷氧基，环烷基，环烷基烷基，环烯基，环烯基烷基，芳基或芳基烷基，其中任何一个可能被Z.sup.1，Z.sup.2和Z.sup.3取代；卤素；羟基；氰基；硝基；--C(O)H；--C(O)R.sup.6；CO.sub.2 H；--CO.sub.2 R.sup.6；--SH；--S(O).sub.n R.sup.6；--S(O).sub.m --OH；--S(O).sub.m --OR.sup.6；--O--S(O).sub.m --R.sup.6；--O--S(O).sub.m OH；--O--S(O).sub.m --OR.sup.6；--Z.sup.4 --NR.sup.7 R.sup.8；或--Z.sup.4 --N(R.sup.11)--Z.sup.5 --NR.sup.9 R.sup.10；R.sup.4和R.sup.5分别独立地是氢；烷基，烯基，炔基，烷氧基，环烷基，环烷基烷基，环烯基，环烯基烷基，芳基或芳基烷基，其中任何一个可能被Z.sup.1，Z.sup.2和Z.sup.3取代；卤素；羟基；氰基；硝基；--C(O)H；--C(O)R.sup.6；--CO.sub.2 H；--CO.sub.2 R.sup.6；--SH，--S(O).sub.n R.sup.6；--S(O).sub.m --OH；--S(O).sub.m --OR.sup.6；--O--S(O).sub.m --R.sup.6；--O--S(O).sub.m OH；--O--S(O).sub.m --OR.sup.6；--Z.sup.4 --NR.sup.7 R.sup.8；--Z.sup.4 --N(R.sup.11)--Z.sup.5 --NR.sup.9 R.sup.10；或R.sup.4和R.sup.5一起是烷基或烯基（其中任何一个可能被Z.sup.1，Z.sup.2和Z.sup.3取代），与它们连接的碳原子一起形成4-至8-成员饱和，不饱和或芳香环。