2,2-二氯辛酸 | 102272-30-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2,2-二氯辛酸
• 英文名称: 2,2-dichlorooctanoic acid
• CAS: 102272-30-0
• 化学式: C₈H₁₄Cl₂O₂
• mdl: MFCD06203265
• 分子量: 213.104
• InChiKey: UTUNURLNZXJIEN-UHFFFAOYSA-N

物化性质

• 沸点：
  93-96 °C (1.6 mmHg)
• 密度：
  1.2200 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34

SDS

Name:	2 2-Dichlorooctanoic Acid 95% Material Safety Data Sheet
Synonym:	None known
CAS:	102272-30-0

Section 1 - Chemical Product MSDS Name:2 2-Dichlorooctanoic Acid 95% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
102272-30-0	2,2-Dichlorooctanoic Acid	95	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale.
Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 102272-30-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear slight brown
Odor: chlorine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 93.0 - 96.0 deg C @ 1.60mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 180 deg C ( 356.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 180 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H14Cl2O2
Molecular Weight: 213.10

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 102272-30-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2-Dichlorooctanoic Acid - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 37 Wear suitable gloves.
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# 102272-30-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 102272-30-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 102272-30-0 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：

  2,2-二氯辛酸 在 吡啶 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 N-benzyl-N-(3-chloro-2-propenyl)-2,2-dichlorooctanamide
  参考文献：
  名称：

  A Simple and Efficient Route to Chaetomellic Anhydride A: A Potent Natural Ras Farnesyl-Protein Transferase Inhibitor

  摘要：

  一种新的高效方法已被设计用于从2,2-二氯棕榈酸合成海藻酸酐A。这涉及到N-烷基-N-(3-氯-2-丙烯基)酰胺的原子转移自由基环化，随后对生成的三氯吡咯烷-2-酮进行重排。

  DOI：

  10.1055/s-2004-829116
• 作为产物：
  描述：

  辛醇 在 potassium permanganate 、 氯 、 magnesium chloride 作用下， 以 氯仿 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 2,2-二氯辛酸
  参考文献：
  名称：

  Buyck, L. De; Casaert, F.; Lepeleire, C. De, Bulletin des Societes Chimiques Belges, 1988, vol. 97, # 7, p. 525 - 534

  摘要：

  DOI：

文献信息

• Method of preparing R-(+)-alpha-lipoic acid and its salt
  申请人：Chen Xin

  公开号：US20070015926A1

  公开（公告）日：2007-01-18

  The present invention discloses a method for preparing R-(+)-LA as well as its metal salts including sodium salt, potassium salt, calcium salt, magnesium salt, zinc salt, ferric salt, cooper salt , lithium salt and its organic salt, wherein a racemic Ethyl 6, 8-Dichlorooctanoic acid is employed as starting agents, followed by a hydrolysis and resolution processes to obtain (+)DCA, and then through sulfuration and cyclization process to obtain R-(+)-LA as well as its varied salts. A method for converting the (−)DCA to (+)DCA is also introduced.

  本发明公开了一种制备R-(+)-LA以及其金属盐，包括钠盐、钾盐、钙盐、镁盐、锌盐、铁盐、铜盐、锂盐和其有机盐的方法。该方法使用外消旋乙基6,8-二氯辛酸作为起始剂，经过水解和分离过程得到（+）DCA，然后通过硫化和环化过程得到R-(+)-LA及其各种盐。还介绍了一种将（-）DCA转化为（+）DCA的方法。
• PROCESS FOR THE PRODUCTION OF DIHYDROLIPOIC ACID
  申请人：ALZCHEM TROSTBERG GMBH

  公开号：US20190276396A1

  公开（公告）日：2019-09-12

  The present invention relates to a multi-step process for the production of dihydrolipoic acid, which can particularly be carried out as a one-pot reaction and without isolation of intermediates.

  本发明涉及一种用于生产二硫辛酸的多步过程，可以作为一锅法进行，而无需分离中间体。
• Oxidation of Aliphatic 2,2‐Dichloroalkanals by HNO₃ in CH₂Cl₂: An Easy and Eco‐friendly Route to the Corresponding 2,2‐Dichloroalkanoic Acids
  作者：Franco Bellesia、Laurent De Buyck、Franco Ghelfi、Ugo M. Pagnoni、Paolo Strazzolini

  DOI：10.1081/scc-120030698

  日期：2004.12.31

  A simple, economically convenient, and eco-compatible procedure for the oxidation of 2,2-dichloroalkanals to the corresponding alkanoic acids has been set up, employing HNO3 in CH2Cl2, in the presence of NaNO2 as catalyst.
• Bellesia, Franco; De Buyck, Laurent; Ghelfi, Franco, Synlett, 2000, # 1, p. 146 - 148
  作者：Bellesia, Franco、De Buyck, Laurent、Ghelfi, Franco

  DOI：——

  日期：——
• Alpha chloriniation process employing food grade antioxidants, oxygen or cyanoquinones
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0167202B1

  公开（公告）日：1990-01-31