4-正癸基苯甲酰氯 | 54256-43-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酰卤化物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-正癸基苯甲酰氯
• 英文名称: 4-decylbenzoyl chloride
• 英文别名: p-decylbenzoyl chloride；4-(n-decyl)benzoyl chloride
• CAS: 54256-43-8
• 化学式: C₁₇H₂₅ClO
• mdl: MFCD00041724
• 分子量: 280.838
• InChiKey: HEWLDHSFOQXCSI-UHFFFAOYSA-N

物化性质

• 沸点：
  172 °C (2 mmHg)
• 密度：
  1.0114 (estimate)
• 闪点：
  171-173°C/2mm
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.588
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2916399090
• 包装等级：
  II
• WGK Germany：
  3
• 危险品运输编号：
  UN 3265
• 储存条件：
  保持贮藏器密封，并将其存放在阴凉、干燥处。确保工作间有良好的通风或排气装置。

SDS

Name:	4-Decylbenzoyl Chloride 98% (Titr.) Material Safety Data Sheet
Synonym:	None known
CAS:	54256-43-8

Section 1 - Chemical Product MSDS Name:4-Decylbenzoyl Chloride 98% (Titr.) Material Safety Data Sheet
Synonym:None known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
54256-43-8	Benzoyl Chloride, 4-Decyl-	98	259-046-7

Hazard Symbols: XI
Risk Phrases: 36/37/38

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

---

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
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.
Notes to Physician:
Treat symptomatically and supportively.

---

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. Will burn if involved in a fire. 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.

---

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. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.
Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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# 54256-43-8: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear light yellow
Odor: chlorine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 172 deg C @ 2.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 93 deg C (> 199.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C17H25ClO
Molecular Weight: 280.83

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, 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

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 54256-43-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzoyl Chloride, 4-Decyl- - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

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.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 54256-43-8: No information available.
Canada
CAS# 54256-43-8 is listed on Canada's NDSL List.
CAS# 54256-43-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54256-43-8 is listed on the TSCA inventory.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-正癸基苯甲酰氯 在 间氯过氧苯甲酸 作用下， 以 乙醚 、 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Rigid Amphiphiles for Membrane Protein Manipulation

  摘要：

  DOI：

  10.1002/(sici)1521-3773(20000218)39:4<758::aid-anie758>3.0.co;2-v
• 作为产物：
  描述：

  Decylmagnesium bromide 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 草酰氯 、 叔丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 苯 为溶剂， 生成 4-正癸基苯甲酰氯
  参考文献：
  名称：

  Rigid Amphiphiles for Membrane Protein Manipulation

  摘要：

  DOI：

  10.1002/(sici)1521-3773(20000218)39:4<758::aid-anie758>3.0.co;2-v

文献信息

• Phenyl acetylenic acetals
  申请人：Schering Corporation

  公开号：US05371284A1

  公开（公告）日：1994-12-06

  Phenyl acetylenic acetals and thioacetals and their use in the treatment of allergy, asthma, inflammation, arthritis, hyperproliferative skin disease, psoriasis or contact dermatitis are disclosed. Also disclosed are intermediates useful for producing said phenyl acetylenic acetals and thioacetals.

  苯基炔丙基缩醛和缩硫醛及其在治疗过敏、哮喘、炎症、关节炎、过度增殖性皮肤病、银屑病或接触性皮炎中的用途被披露。还披露了用于生产所述苯基炔丙基缩醛和缩硫醛的有用中间体。
• Benzophenone-containing fatty acids and their related photosensitive fluorescent new probes: Design, physico-chemical properties and preliminary functional investigations
  作者：Benoît Hilbold、Marie Perrault、Christophe Ehret、Song-Lin Niu、Benoît Frisch、Eve-Isabelle Pécheur、Line Bourel-Bonnet

  DOI：10.1016/j.bmc.2011.10.043

  日期：2011.12

  design and synthesis of a novel family of fluorescent and photosensitive lipid tools, which have a common amino acid scaffold functionalized by three groups: (i) a first fatty acid chain grafted with a photoactivatable benzophenone moiety (Fatty Acid BenzoPhenone, FABP), (ii) a second fatty acid chain to ensure anchoring into a half-bilayer or hydrophobic environment, and (iii) a fluorescent carboxytetramethylrhodamine

  疏水性光亲和标记是一种强大的策略，可识别分子中的疏水片段，尤其是膜蛋白。在这里，我们报告设计和合成的新型荧光和光敏脂质工具，它们具有由三个基团官能化的常见氨基酸支架：（i）接有光活化二苯甲酮部分的第一条脂肪酸链（脂肪酸苯甲酮，FABP） ），（ii）第二条脂肪酸链以确保锚定在半双层或疏水环境中，以及（iii）荧光羧基四甲基罗丹明头基（CTMR）以检测光标记的化合物。我们目前的数据和合成的三个脂质工具的数据，其二苯甲酮环位于距中央支架不同的距离。因此，我们可以根据二苯甲酮插入膜的深度来建立结构/性质关系。我们的脂质工具在物理和生化方面都得到了广泛的表征，我们使用细菌视紫红质（bR）在体外评估了它们的功能。因此，我们为科学界提供了新颖可靠的工具，用于鉴定和研究蛋白质中的疏水区域。
• Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides
  申请人：ELI LILLY AND COMPANY

  公开号：EP0825164A2

  公开（公告）日：1998-02-25

  This invention relates to a novel solution phase process for the preparation of amide, carbamate, and sulfonamide combinatorial libraries. These libraries have utility for drug discovery and are used to form wellplate components of novel assay kits.

  这项发明涉及一种用于制备酰胺、碳酸酯和磺酰胺组合库的新型溶液相过程。这些库在药物发现中具有实用价值，并用于形成新型检测套件的微孔板组件。
• [EN] INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE<br/>[FR] INHIBITEUR DE DIACYLGLYCÉROL ACYLTRANSFÉRASE
  申请人：PIRAMAL LIFE SCIENCES LTD

  公开号：WO2011080718A1

  公开（公告）日：2011-07-07

  The present invention relates to heterocyclic compounds in all their stereoisomeric and tautomeric forms; and their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutically acceptable polymorphs. The invention also relates to processes for the manufacture of the heterocyclic compounds and to pharmaceutical compositions containing them. The said compounds and their pharmaceutical compositions are useful in the prevention and treatment of diseases or disorders mediated by diacylglycerol acyltransferase (DGAT), particularly DGAT1. The present invention further provides a method of treatment of such diseases or disorders by administering a therapeutically effective amount of said compounds or their pharmaceutical compositions, to a mammal in need thereof.

  本发明涉及杂环化合物及其所有立体异构体和互变异构体形式；以及它们的药学上可接受的盐、药学上可接受的溶剂合物和药学上可接受的多晶形态。该发明还涉及制备这些杂环化合物的方法以及含有它们的药物组合物。所述化合物及其药物组合物在预防和治疗由二酰基甘油酰基转移酶（DGAT）介导的疾病或紊乱方面具有用途，特别是DGAT1。本发明进一步提供了一种治疗这些疾病或紊乱的方法，通过向有需要的哺乳动物施用所述化合物或其药物组合物的治疗有效量。
• Inhibition of PDGFR tyrosine kinase activity by a series of novel N-(3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)amides – A SAR study on the bioisosterism of pyrimidine and imidazole
  作者：Siavosh Mahboobi、Andreas Sellmer、Asma Eswayah、Sigurd Elz、Andrea Uecker、Frank-D. Böhmer

  DOI：10.1016/j.ejmech.2007.09.021

  日期：2008.7

  A series of N-(3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)amides were synthesized and tested for inhibition of PDGFR and FLT3 autophosphorylation. The novel N-(3-(4-(pyridin-3-yl)-1H-imidazol-2-ylamino)phenyl)amides, obtained by replacement of the pyrimidine system in Imatinib (1) with an imidazole ring, exhibit potent inhibitory activity on PDGFR, similar to the parent compound (IC(50) (9e)=0

  合成了一系列N-（3-（4-（吡啶-3-基）-1H-咪唑-2-基氨基）苯基）酰胺，并测试了其对PDGFR和FLT3自磷酸化的抑制作用。通过用咪唑环取代伊马替尼（1）中的嘧啶系统而获得的新型N-（3-（4-（吡啶-3-基）-1H-咪唑-2-基氨基）苯基）酰胺具有强抑制作用与母体化合物相似（IC（50）（9e）= 0.2 microM; IC（50）伊马替尼（1）= 0.3 microM）。如对FLT3（一种密切相关的III类受体酪氨酸激酶）没有活性所显示的，其似乎似乎是保守的，其不受母体化合物伊马替尼的影响。