2-甲基-3-苯基-2-丙烯酰氯 | 35086-87-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 2-甲基-3-苯基-2-丙烯酰氯
• 中文别名: (E)-2-甲基-3-苯基丙烯酰氯
• 英文名称: (Z)-2-methyl-3-phenyl-2-propenoylchloride
• 英文别名: (Z)-2-methyl-3-phenylprop-2-enoyl chloride
• CAS: 35086-87-4
• 化学式: C₁₀H₉ClO
• 分子量: 180.634
• InChiKey: XHIRBFXXIZZLNG-FPLPWBNLSA-N

物化性质

• 熔点：
  24-26°C
• 沸点：
  266.6±9.0 °C(Predicted)
• 密度：
  1.163±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品运输编号：
  UN 3261
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34

SDS

Name:	2-Methyl-3-phenylprop-2-enoyl chloride 97% Material Safety Data Sheet
Synonym:	2-Methyl-3-phenylacryloyl chlorid
CAS:	35086-87-4

Section 1 - Chemical Product MSDS Name:2-Methyl-3-phenylprop-2-enoyl chloride 97% Material Safety Data Sheet
Synonym:2-Methyl-3-phenylacryloyl chlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
35086-87-4	2-Methyl-3-phenylprop-2-enoyl chloride	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 35086-87-4: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white - pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 24 - 26 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H9ClO
Molecular Weight: 181

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 35086-87-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methyl-3-phenylprop-2-enoyl chloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 35086-87-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35086-87-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35086-87-4 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-甲基-3-苯基-2-丙烯酰氯 在 正丁基锂 、 镍 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 4(S)-(1-methylethyl)-3-(2(R)-methyl-1-oxo-3-phenylpropyl)-2-oxazolidinone
  参考文献：
  名称：

  Asymmetric construction of two contiguous stereocenters by diastereoface differentiating addition reaction of thiols to chiral imides: Formal synthesis of (+)-diltiazem

  摘要：

  A high degree of diastereoselectivity has been achieved on the asymmetric construction of two contiguous stereocenters by the conjugate addition of thiols to alpha,beta-unsaturated imides possessing Evans's chiral auxiliary. Addition reactions of thiophenol to chiral E- and Z-2-methylcrotonyl imides 4 proceeded with high diastereoface selectivities. Diastereoselectivities were discussed when E- and Z-imides 4 and 5 were used as the substrates. A successful application was demonstrated by the formal synthesis of a clinically useful cardiac drug, (+)-diltiazem. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01191-x

文献信息

• Efficient Routes to Racemic and Enantiomerically Pure (S)-BINOL Diesters
  作者：Andrea R. Costantino、Romina A. Ocampo、María G. Montiel Schneider、Gustavo Fernandez、Liliana C. Koll、Sandra D. Mandolesi

  DOI：10.1080/00397911.2013.774017

  日期：2013.12.2

  esterification procedures to the synthesis of BINOL diesters is described. Reaction conditions with trifluoracetic acid anhydride (TFAA) and 85% H3PO4 were selected as the best procedure to prepare enantiomerically pure (S)-1,1′-bi-2-naphthol (BINOL) diesters VIII to XI with almost quantitative yields and very short reaction times. [Supplementary materials are available for this article. Go to the publisher's

  摘要 描述了合成 BINOL 二酯的酯化程序的系统研究。选择三氟乙酸酐 (TFAA) 和 85% H3PO4 的反应条件作为制备对映体纯 (S)-1,1'-bi-2-萘酚 (BINOL) 二酯 VIII 至 XI 的最佳方法反应时间短。[本文提供补充材料。访问出版商的 Synthetic Communications® 在线版，获取以下免费补充资源：完整的实验和光谱细节。] 图形摘要
• Photoresist composition
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP0945764A2

  公开（公告）日：1999-09-29

  A photoresist composition which is particularly useful as a chemical amplification type photoresist is provided, wherein the photoresist composition contains a resin having a structural unit represented by the following formula (I) : wherein R1, R2 and R3 each independently represents a hydrogen atom or an alkyl group having 1 to 4 carbon atoms; R4 represents a hydrogen atom, an alkyl group having 1 to 4 carbon atoms or an alkoxy group having 1 to 4 carbon atoms and R5 represents a hydrogen atom, alkyl group or aryl group, or R4 and R5 join together to form a ring, which may be heterocyclic; and R6 represents a hydrogen atom, an alkyl group having 1 to 4 carbon atoms, an alkoxy group having 1 to 4 carbon atoms or a hydroxyl group.

  本发明提供了一种特别适用于化学放大型光刻胶的光刻胶组合物，其中该光刻胶组合物含有一种具有下式(I)所代表的结构单元的树脂： 其中 R1、R2 和 R3 各自独立地代表氢原子或具有 1 至 4 个碳原子的烷基；R4 代表氢原子、具有 1 至 4 个碳原子的烷基或具有 1 至 4 个碳原子的烷氧基，R5 代表氢原子、烷基或芳基，或 R4 和 R5 连接在一起形成环，该环可以是杂环；R6 代表氢原子、具有 1 至 4 个碳原子的烷基、具有 1 至 4 个碳原子的烷氧基或羟基。
• US6258507B1
  申请人：——

  公开号：US6258507B1

  公开（公告）日：2001-07-10