2-氯-3-羟基丙酸甲脂 | 98070-39-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 中文名称: 2-氯-3-羟基丙酸甲脂
• 中文别名: 2-氯-3-羟基丙酸甲脂,97；2-氯-3-羟基丙酸甲酯
• 英文名称: methyl 2-chloro-3-hydroxypropionate
• 英文别名: methyl 2-chloro-3-hydroxypropenoate；methyl-2-chloro-3-hydroxypropionate；α-Chlor-β-hydroxy-propionsaeure-methylester；methyl 2-chloro-3-hydroxypropanoate
• CAS: 98070-39-4
• 化学式: C₄H₇ClO₃
• mdl: MFCD07368971
• 分子量: 138.551
• InChiKey: IPNQALYYANAHGS-UHFFFAOYSA-N

物化性质

• 沸点：
  105-109°C/20mm
• 密度：
  1.319
• 闪点：
  105-109°C/20mm
• 稳定性/保质期：
  密封储存，存放于阴凉、干燥的库房，并远离氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2918199090
• WGK Germany：
  3

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Methyl 2-chloro-3-hydroxypropionate
CAS-No. : 98070-39-4
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
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Safety data sheet available on request.
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : 2-Chloro-3-hydroxypropionic acid methyl ester
Formula : C4H7ClO3
Molecular Weight : 138,55 g/mol
Component Concentration
Methyl 2-chloro-3-hydroxypropionate
CAS-No. 98070-39-4 -

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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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
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
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. 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 contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Recommended storage temperature: 2 - 8 °C
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
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
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: solid
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 105 - 108 °C at 27 hPa
boiling range
g) Flash point 110 °C
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 1,319 g/cm3 at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 0,236
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
no data available
Incompatible materials
Strong oxidizing agents
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
Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals.
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
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氯-3-羟基丙酸甲脂 在 硫酸 、 copper(l) chloride 作用下， 生成 2-氯代丙烯酸甲酯
  参考文献：
  名称：

  Yakubovich,A.Ya. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 2481 - 2482

  摘要：

  DOI：
• 作为产物：
  描述：

  丙烯酸甲酯（MA） 在 水 、 氯 作用下， 生成 2-氯-3-羟基丙酸甲脂
  参考文献：
  名称：

  Yakubovich,A.Ya. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 2481 - 2482

  摘要：

  DOI：

文献信息

• Synthesis of inimers and hyperbranched polymers
  申请人：Pugh Coleen R.

  公开号：US08524942B2

  公开（公告）日：2013-09-03

  An inimer, and process for making same, having the following formula: wherein X=halogen, nitroxide, thioester; R═H or CH3; and R′=aliphatic, non-aliphatic, linear or branched, mesogenic, non mesogenic, chiral, achiral, hydrocarbon, non-hydrocarbon, selected from fluorocarbon, oligo(oxyethylene) and siloxane substituents, alkyl, aryl, mesogenic group, non-mesogenic group, aliphatic, non-aliphatic, siloxane, perfluoroalkyl, perfluoroaryl, or other fluorocarbon group, and polymers, and the process of making them, from the inimer.

  一种含有以下配方的inimer及其制备方法： 其中X=卤素、亚硝基、硫酯；R=H或CH3；R′=脂肪族、非脂肪族、直链或支链、向列型、非向列型、手性、非手性、碳氢化合物、非碳氢化合物，选自氟碳、寡聚（氧乙烯）和硅氧烷取代基、烷基、芳基、向列基团、非向列基团、脂肪族、非脂肪族、硅氧烷、全氟烷基、全氟芳基或其他氟碳基团、以及聚合物，以及从inimer制备它们的方法。
• Synthesis of Hyperbranched Polyacrylates by a Chloroinimer Approach
  作者：Coleen Pugh、Anirudha Singh、Reichel Samuel、Karla M. Bernal Ramos

  DOI：10.1021/ma100416p

  日期：2010.6.22

  (2-Chloro-2-alkoxycarbonyl)ethyl acrylates with methyl, dodecyl, perfluoroalkyl, siloxane, oligooxyethylene, and mesogenic ester substituents were synthesized as inimers for self-condensing vinyl polymerization (SCVP) to produce hyperbranched polyacrylates. The inimers were polymerized by atom transfer radical polymerization under a variety of conditions to produce soluble polymers with broad polydispersities (up to PDI = 5.24) characteristic of hyperbranched polymers, although the isolated polymers had narrower polydispersities. The molecular weight distribution was followed as a function of time and inimer conversion for the polymerization of the mesogenic inimer. The first-order inimer conversion was linear with time. The buildup of a hyperbranched structure during the SCVP was confirmed by comparison of the error in the GPC(PSt)-determined molecular weights of the mesogenic polymer with those of the corresponding linear, three-arm star, and comb architectures.

  该研究通过开发新型Inimers（一种具有不同取代基的改性丙烯酸酯单体），成功实现了自缩合乙烯聚合（SCVP），制备了一系列超支化聚丙烯酸酯。这些Inimers具有多种功能化取代基，包括甲基、十二烷基、全氟烷基、硅氧烷、寡聚氧乙烯以及介晶取代基。研究采用了原子转移自由基聚合（ATRP）技术，在不同条件下进行聚合，成功制备了具有广泛分子量分布（最高PDI=5.24）的可溶性超支化聚合物，尽管分离出的聚合物分子量分布较窄。通过对具有介晶Inimer的聚合过程进行分析，发现Inimer的转化率与时间呈线性关系，这表明在SCVP过程中形成了明确的支化结构增长特性。通过对比介晶聚合物与对应线性、三臂星型以及梳状结构聚合物在凝胶渗透色谱（GPC，使用聚苯乙烯为标样）测定下的分子量误差，进一步证实了超支化结构的形成。
• (2,6-Dichloro-4-alkoxyphenyl)-(2,4-dichlorophenyl)methyl Trichloroacet­imidates: Protection of Alcohols and Carboxylic Acids in Solution or on Polymer Support
  作者：Michio Kurosu、Kai Li

  DOI：10.1055/s-0029-1216974

  日期：2009.11

  (10˜100 mol%) to react with alcohols and carboxylic acids­. Under these conditions a wide variety of alcohols can be transformed into the corresponding ethers in excellent yields with a slight excess of the trichloroacetimidate. The resulting ethers are not susceptible to typical deprotection conditions for benzyl and 4-methoxybenzyl ether groups, however, they can be conveniently deprotected by treatment

  （2，6-二氯-4-甲氧基苯基）-（2，4-二氯苯基）-甲基三氯乙酰亚胺酸酯可以被TMSOTf（10〜100mol％）有效地活化以与醇和羧酸反应。在这些条件下，各种醇可以以极高的收率转化为相应的醚，而三氯乙酰亚氨酸酯略有过量。所得的醚对于典型的苄基和4-甲氧基苄基醚基的脱保护条件不敏感，但是，它们可以通过用在二氯甲烷中的30〜50％三氟乙酸处理而方便地脱保护。聚合物结合的（2,6-二氯-4-烷氧基苯基）-（2,4-二氯苯基）甲基三氯乙酰亚胺酸酯可用于固定醇和羧酸。 保护基-醇和羧酸-二苯甲基酯衍生物-聚合物键合-接头
• Esterase Catalyzed Regio- and Enantio-selective Hydrolysis of Substituted Carboxylates
  作者：Eiji Ozaki、Keiichi Sakashita

  DOI：10.1246/cl.1997.741

  日期：1997.8

  Optically active α-substituted carboxylic acid derivatives were obtained with regio- and enantio-selective hydrolysis catalyzed by esterase from Pseudomonas putida MR-2068. Substrate specificities were summarized in empirical rule to predict the enantiopreferences of the esterase. High regio-selectivities were also discussed with binding models.

  通过恶臭假单胞菌 MR-2068 的酯酶催化区域选择性和对映选择性水解，获得光学活性 α-取代的羧酸衍生物。底物特异性总结为经验规则，以预测酯酶的对映体优先性。还讨论了结合模型的高区域选择性。
• EP1167369
  申请人：——

  公开号：——

  公开（公告）日：——