2,2-二氯己酸 | 18240-70-5

• 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: 2,2-二氯己酸
• 英文名称: 2,2-dichlorohexanoic acid
• 英文别名: 2,2-Dichlor-capronsaeure
• CAS: 18240-70-5
• 化学式: C₆H₁₀Cl₂O₂
• mdl: MFCD06203259
• 分子量: 185.05
• InChiKey: CNWRQGGFKSSJSS-UHFFFAOYSA-N

物化性质

• 沸点：
  66-67 °C
• 密度：
  1.2968 (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)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 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：
  S45
• 危险类别码：
  R34
• 海关编码：
  2915900090
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	2 2-Dichlorohexanoic acid 93% Material Safety Data Sheet
Synonym:	None
CAS:	18240-70-5

Section 1 - Chemical Product MSDS Name:2 2-Dichlorohexanoic acid 93% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18240-70-5	2,2-Dichlorohexanoic acid, 93%	93%	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.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
No information found.

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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 flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. 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:

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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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 18240-70-5: 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:
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: Liquid
Color: clear slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 66 - 67 deg C @ .01mbar
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: C6H10Cl2O2
Molecular Weight: 185.04

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 18240-70-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2-Dichlorohexanoic acid, 93% - 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 LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
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# 18240-70-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18240-70-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18240-70-5 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：

  2,2-二氯己酸 在 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 27.0h， 生成
  参考文献：
  名称：

  通过级联Witkop光环化/消除/加成序列的（+）-和（-）-地姜黄素和（±）-Serotobenine的总合成：范围和机理的见解

  摘要：

  在本文中，介绍了抗疟疾化合物去甲锡藤及其生物学上无活性的同型血清素的总合成方法。首先研究了（±）-serotobenine的仿生合成，但没有成功。在随后的其他合成路线研究中，我们发现了新的级联Witkop光环化/消除/加成序列，该序列不仅能使外消旋的十碳体和血清型贝宁，而且对映体（+）-和（-）-十碳体和一个对映体纯合子的合成成为可能。各种各样的类似物。目前的合成方法代表了迄今为止全合成十倍体藤黄素和血清素联苯胺的最短途径。而且，新开发的用于癸二烯全合成的级联序列不需要任何保护步骤。还研究了级联序列的范围和反应机理。

  DOI：

  10.1002/chem.201204137
• 作为产物：
  描述：

  已腈 在 盐酸 、 五氯化磷 、 三氯氧磷 作用下， 生成 2,2-二氯己酸
  参考文献：
  名称：

  Shevchenko,V.I. et al., Journal of general chemistry of the USSR, 1967, vol. 37, p. 1284 - 1289

  摘要：

  DOI：

文献信息

• Controlled drug device and process for catalysing the erosion of an acid labile polymer
  申请人：Merck & Co., Inc.

  公开号：EP0208617A1

  公开（公告）日：1987-01-14

  The invention relates to the use of carboxylic, sulfonic, phosphatidic and/or phosphate ester acids incorporated as a catalyst in poly(ortho­ester)s and other acid labile polymers such that upon exposure to aqueous environments the acid catalyzes the erosion of the polymer matrix. The rate of release of a drug substance incorporated into or surrounded by the poly(orthoester) or other acid labile polymer can be controlled in that the drug is released as the polymer is eroded in response to the catalytic action of the acid incorporated therein.

  本发明涉及使用羧酸、磺酸、磷脂酸和/或磷酸酯酸作为催化剂加入聚（邻苯二甲酸酯）和其他酸性聚合物中，使其在暴露于水性环境时催化聚合物基质的侵蚀。掺入聚（邻苯二甲酸酯）或其他酸性聚合物中或被其包围的药物物质的释放速度可以得到控制，因为在掺入其中的酸的催化作用下，当聚合物被侵蚀时，药物就会释放出来。
• New lysosphingolipid derivatives
  申请人：FIDIA S.p.A.

  公开号：EP0373038A2

  公开（公告）日：1990-06-13

  Novel derivatives of lysophingolipids free from sialic acids which are N-acyllysosphingolipids having one of the two formulae: in which -A- stands for the group -CH=CH- or -CH₂-CH₂-, n₁ is a whole number of between 6 and 18, n₂ a whole number of between 11 and 15, X is a hydrogen atom or the residue of a monosaccharide or a disaccharide or phosphorylcholine and R represents an alkyl radical derived from a saturated or unsaturated aliphatic carboxylic acid having from 2 to 24 carbon atoms substituted by one or more polar groups. The lysosphingolipid derivatives of the invention exhibit an inhibiting action on protein-kinase C activation and, thus, can be utilized in therapies for various pathologies of the nervous system.

  不含硅酸的溶血鞘磷脂新衍生物，属于具有以下两种式子之一的 N-酰基鞘磷脂： 其中 -A- 代表基团 -CH=CH- 或 -CH₂-CH₂-，n₁ 是介于 6 和 18 之间的整数，n₂ 是介于 11 和 15 之间的整数、X 是氢原子或单糖、双糖或磷酸胆碱的残基，R 代表烷基，衍生自具有 2 至 24 个碳原子的饱和或不饱和脂肪族羧酸，并被一个或多个极性基团取代。本发明的溶血磷脂衍生物对蛋白激酶 C 的活化具有抑制作用，因此可用于治疗神经系统的各种病症。
• Novel synthetic gangliosides
  申请人：Neuronyx, Inc.

  公开号：US20020072502A1

  公开（公告）日：2002-06-13

  Disclosed is a synthetic ganglioside comprising a deamino-(2-O-substituted)-sphingosine group. Preferably, the deamino-(2-O-substituted)-sphingosine group is represented by Structural Formula (I): 1 X is ═O or —H 2 . R 1 and R 2 are independently a substituted or unsubstituted straight chain or branched hydrocarbyl group, wherein the hydrocarbyl group optionally comprises —S—, —S(O)—, —SO 2 —, —O— —NHCO—, —CONH—, —C(O)O—, —OC(O)—or —NR—. R 3 is —H, —OS(O) 2 OH, —OP(O) 2 OH, —OP(O) 2 OP(O) 2 OH, —ON(O)OH. Each R is independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. Also disclosed are methods of treating a subject with a neurological condition or disease and methods of treating a subject in need of immunosuppresion. The methods comprises the step of administering to the subject an effective amount of the synthetic ganglioside represented by Structural Formula (I).

  本发明公开了一种合成神经节苷脂，它包含一个脱氨基-(2-O-取代)-肌球蛋白基团。优选地，脱氨基-(2-O-取代)-肌球蛋白基团由结构式（I）表示： 1 X 是 ═O 或 -H 2 . R 1 和 R 2 独立地为取代或未取代的直链或支链烃基，其中烃基可选地包括 -S-、-S(O)-、-SO 2 -、-O-、-NHCO-、-CONH-、-C(O)O-、-OC(O)-或-NR-。 R 3 是-H、-OS(O) 2 OH、-OP(O) 2 OH、-OP(O) 2 OP(O) 2 OH、-ON(O)OH。 每个 R 独立地为-H、脂肪族基团、取代的脂肪族基团、芳基或取代的芳基。 本发明还公开了治疗患有神经系统疾病的受试者的方法和治疗需要免疫抑制的受试者的方法。这些方法包括向受试者施用有效量的由结构式（I）代表的合成神经节苷脂的步骤。
• Buyck, L. De; Casaert, F.; Lepeleire, C. De, Bulletin des Societes Chimiques Belges, 1988, vol. 97, # 7, p. 525 - 534
  作者：Buyck, L. De、Casaert, F.、Lepeleire, C. De、Schamp, N.

  DOI：——

  日期：——
• Reaction of primary aliphatic amines in oxidation systems containing sodium peroxydisulfate
  作者：E. I. Troyanskii、V. A. Ioffe、I. V. Svitan'ko、G. I. Nikishin

  DOI：10.1007/bf00954713

  日期：1983.11