2,2-二氯戊酸 | 18240-68-1

• 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: 2,2-二氯戊酸
• 英文名称: 2,2-dichloropentanoic acid
• CAS: 18240-68-1
• 化学式: C₅H₈Cl₂O₂
• mdl: MFCD06203234
• 分子量: 171.023
• InChiKey: TWEBLPKRDRCUEH-UHFFFAOYSA-N

物化性质

• 沸点：
  242.14°C (rough estimate)
• 密度：
  1.3444 (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)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 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

SDS

Name:	2 2-Dichloropentanoic acid 92% Material Safety Data Sheet
Synonym:	None
CAS:	18240-68-1

Section 1 - Chemical Product MSDS Name:2 2-Dichloropentanoic acid 92% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18240-68-1	2,2-Dichloropentanoic acid, 92%	92%	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# 18240-68-1: 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, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C5H8Cl2O2
Molecular Weight: 171.02

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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# 18240-68-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2-Dichloropentanoic acid, 92% - 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# 18240-68-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18240-68-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18240-68-1 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：

  2,2-二氯戊酸 在 吡啶 、 氯化亚砜 作用下， 以 乙醚 为溶剂， 反应 6.0h， 生成 p-methoxyphenyl 2,2-dichloropentanoate
  参考文献：
  名称：

  疏水性酯在含有一元醇的水溶液中形成疏水性稳定的相遇复合物的动力学证据

  摘要：

  四种酯的 pH 无关水解，对甲氧基苯基 2,2-二氯乙酸酯 (1a)、对甲氧基苯基 2,2-二氯丙酸酯 (1b)、对甲氧基苯基 2,2-二氯丁酸酯 (1c) 和对甲氧基苯基 2 , 2-二氯戊酸酯 (1d) 在稀水溶液中已被研究作为添加的共溶乙醇、1-丙醇和 1-丁醇的摩尔浓度的函数。中性水解的速率常数随着共溶质浓度的增加而降低。这些动力学介质效应对酯的疏水性和一元醇的疏水性都有响应。使用热力学和动力学模型分析观察到的速率效应。动力学模型表明疏水稳定的遭遇复合物的分子图，平衡常数 K(ec) 通常小于 1，其中共溶质阻断水解酯的反应中心以防止水的侵袭。根据热力学模型，这些相遇复合物的形成导致主要的初始状态稳定化。这些水解反应的表观焓和活化熵的降低对应于不利的焓和有利的络合熵，这证实了遇到的复合物通过疏水相互作用而稳定。

  DOI：

  10.1021/ja010617w
• 作为产物：
  描述：

  2,2-二氯戊醛 在 potassium permanganate 作用下， 以 水 为溶剂， 反应 3.0h， 生成 2,2-二氯戊酸
  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

• [EN] C-3 TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS<br/>[FR] TRITERPÉNONE EN C-3 AVEC DES DÉRIVÉS AMIDES INVERSÉS EN C-17 EN TANT QU'INHIBITEURS DU VIH
  申请人：HETERO LABS LTD

  公开号：WO2018065930A1

  公开（公告）日：2018-04-12

  The present invention relates to C-3 triterpenone with C-17 reverse amide compounds of formula (I); and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6, R7 and 'n' are as defined in formula (I). The invention also relates to C-3 triterpenone with C-17 reverse amide derivatives, related compounds, and pharmaceutical compositions useful for the therapeutic treatment of viral diseases and particularly HIV mediated diseases.

  本发明涉及具有公式（I）的C-3三萜酮与C-17反酰胺化合物；及其药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7和'n'如公式（I）中所定义。该发明还涉及C-3三萜酮与C-17反酰胺衍生物、相关化合物和药物组合物，用于治疗病毒性疾病，特别是HIV介导的疾病。
• The acylphosphonate function as an activating and masking moiety for the α-chlorination of fatty acids
  作者：Christian Stevens、Laurent De Buyck、Norbert De Kimpe

  DOI：10.1016/s0040-4039(98)01939-x

  日期：1998.11

  α-Chloroacylphosphonates were prepared in situ by chlorination of acylphosphonates using sulfuryl chloride and were subsequently cleaved to the corresponding α-chlorinated fatty acids with hydrogen peroxide - sodium bicarbonate.

  通过使用硫酰氯氯化酰基膦酸酯原位制备α-氯酰基膦酸酯，随后将其用过氧化氢-碳酸氢钠裂解为相应的α-氯化脂肪酸。
• 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。
• High pressure high temperature (HPHT) aqueous drilling mud composition and process for preparing the same
  申请人：ISP INVESTMENTS INC.

  公开号：US10113099B2

  公开（公告）日：2018-10-30

  What is described herein is an aqueous high-temperature high-pressure (HTHP) stable drilling mud composition comprising (i) about 20 wt. % to about 80 wt. % of 0-60% w/w brine solution; (ii) about 0.1 wt. % to about 3 wt. % of butylated reaction product of p-cresol and dicyclopentadiene, a polymeric hindered phenol based antioxidant; (iii) about 0.1 wt. % to about 10.0 wt. % of triethanol amine, a chelating agent; (iv) (a) about 0.1 wt. % to about 10 wt. % of rheology modifier (RM); and/or (b) about 0.5 wt. % to about 30 wt. % of fluid loss additive (FLA); (v) about 20 wt. % to about 80 wt. % of weighting agent; (vi) about 0 wt. % to about 20 wt. % of drilling solid; and (vii) about 0 wt. % to about 50 wt % of water.

  本文所述的是一种水基高温高压（HTHP）稳定钻井泥浆组合物，包括(i)约20重量%至约80重量%的0-60% w/w盐水溶液；(ii)约0.1重量%至约3重量%的对甲酚和双环戊二烯的丁基化反应产物，一种基于受阻酚的聚合物抗氧化剂；(iii)约0.1重量%至约10.0 wt. %的三乙醇胺，一种螯合剂；(iv) (a) 约 0.1 wt. %至约 10 wt.(iv) 约 0.1 重量 % 至约 10 重量 % 的流变改性剂 (RM)；和/或 (b) 约 0.5 重量 % 至约 30 重量 % 的流体流失添加剂 (FLA)； (v) 约 20 重量 % 至约 80 重量 % 的增重剂； (vi) 约 0 重量 % 至约 20 重量 % 的钻井固体；以及 (vii) 约 0 重量 % 至约 50 重量 % 的水。
• Eco-friendly non-aqueous antimicrobial composition comprising hinokitiol with 1,3-propanediol and/or sorbitan caprylate
  申请人：ISP INVESTMENTS INC.

  公开号：US10973228B2

  公开（公告）日：2021-04-13

  [Problem] The object is to obtain cosmetics which do not show primary skin irritation or sensitization, and do not impart any unpleasant sensation such as sharp pain or prickly sensation when employed as a cosmetic, with the lowest possible inclusion of preservative/fungicide. [Solution] Antimicrobial low-irritant cosmetics characterized in that they contain one or two or more tropolone derivative(s) and one or two or more polyhydric alcohol(s) in quantities which have an anti-microbial effect and low skin irritancy.

  [问题]目的是获得在用作化妆品时不会对皮肤产生原发性刺激或过敏，也不会产生任何不愉快的感觉，如剧痛或刺痛感，同时防腐剂/杀真菌剂的含量尽可能低的化妆品。 [解]抗菌低刺激性化妆品，其特征在于它们含有一种或两种或两种以上的卫矛酮衍生物和一种或两种或两种以上的多元醇，其数量具有抗菌效果和低皮肤刺激性。