1-氯-4-(3-氯丙烷基)苯 | 64473-34-3

• 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: 1-氯-4-(3-氯丙烷基)苯
• 中文别名: 1-氯-4-(3-氯丙基)苯
• 英文名称: 3-(4'-chlorophenyl)propylchloride
• 英文别名: 1-chloro-4-(3-chloropropyl)benzene；4-chloro-(3-chloropropyl)benzene；1-chloro-3-(4-chlorophenyl)propane；3-(4-chlorophenyl)propyl chloride
• CAS: 64473-34-3
• 化学式: C₉H₁₀Cl₂
• mdl: MFCD00045302
• 分子量: 189.084
• InChiKey: FYUVHLUSUWWUPY-UHFFFAOYSA-N

物化性质

• 熔点：
  0°C
• 沸点：
  0°C
• 密度：
  1.166±0.06 g/cm3(Predicted)
• 闪点：
  0°C

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2903999090

SDS

Name:	1-Chloro-4-(3-chloropropyl)benzene 97% Material Safety Data Sheet
Synonym:
CAS:	64473-34-3

Section 1 - Chemical Product MSDS Name:1-Chloro-4-(3-chloropropyl)benzene 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
64473-34-3	1-Chloro-4-(3-chloropropyl)benzene	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: 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.
Ingestion:
Get medical aid. Wash mouth out with 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.

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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 water spray, dry chemical, carbon dioxide, or chemical foam.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 64473-34-3: 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: Oil
Color: 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: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H10Cl2
Molecular Weight: 189

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
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# 64473-34-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Chloro-4-(3-chloropropyl)benzene - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 64473-34-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64473-34-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64473-34-3 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：

  1-氯-4-(3-氯丙烷基)苯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-[[3-(p-chlorophenyl)propyl]ethylamino]benzoic acid, ethyl ester
  参考文献：
  名称：

  潜在的抗动脉粥样硬化剂。2.西他本的（芳烷基氨基）-和（烷基氨基）苯甲酸类似物。

  摘要：

  描述了一系列（芳烷基氨基）-和（烷基氨基）苯甲酸的合成，以及相应的酯和钠盐。在大鼠体内评估了该化合物的血清甾醇和甘油三酸酯降低活性，并且在体外评估了该化合物在抑制动脉壁的主要胆固醇酯化酶，脂肪酰基-CoA：胆固醇酰基转移酶（ACAT）中的活性。基于这两种活性的结合，选择了卡本苯甲酸钠（150）作为降血脂药和潜在的抗动脉粥样硬化药物开发。

  DOI：

  10.1021/jm00364a009
• 作为产物：
  描述：

  3-(4'-氯苯基)丙醇 在 三光气 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以83%的产率得到1-氯-4-(3-氯丙烷基)苯
  参考文献：
  名称：

  钴催化芳族亚胺与伯和仲烷基卤化物的邻位烷基化

  摘要：

  我们在这里报告了钴-N-杂环卡宾催化系统，用于芳族亚胺与烷基氯化物和溴化物的邻位烷基化，它允许在室温下引入各种伯和仲烷基。仲烷基卤化物反应的立体化学结果表明，本反应涉及从钴物种到烷基卤化物的单电子转移以生成相应的烷基自由基。通过该方法获得的环烷基化产物可以通过操纵导向和环烷基转化为独特的螺环。

  DOI：

  10.1021/ja403759x

文献信息

• Room temperature C(sp²)–H oxidative chlorination via photoredox catalysis
  作者：Lei Zhang、Xile Hu

  DOI：10.1039/c7sc03010j

  日期：——

  catalysis has been developed to achieve oxidative C–H chlorination of aromatic compounds using NaCl as the chlorine source and Na2S2O8 as the oxidant. The reactions occur at room temperature and exhibit exclusive selectivity for C(sp2)–H bonds over C(sp3)–H bonds. The method has been used for the chlorination of a diverse set of substrates, including the expedited synthesis of key intermediates to bioactive

  已开发出光氧化还原催化以使用NaCl作为氯源和Na 2 S 2 O 8作为氧化剂实现芳族化合物的CH-H氧化氯化。该反应在室温下发生，对C（sp 2）–H键的选择性高于C（sp 3）–H键的选择性。该方法已用于多种底物的氯化，包括加速合成生物活性化合物和药物的关键中间体。
• C(sp ³ )–H methylation enabled by peroxide photosensitization and Ni-mediated radical coupling
  作者：Aristidis Vasilopoulos、Shane W. Krska、Shannon S. Stahl

  DOI：10.1126/science.abh2623

  日期：2021.4.23

  candidate associated with addition of a single methyl group. We report a synthetic method that enables direct methylation of C(sp3)–H bonds in diverse drug-like molecules and pharmaceutical building blocks. Visible light–initiated triplet energy transfer promotes homolysis of the O–O bond in di-tert-butyl or dicumyl peroxide under mild conditions. The resulting alkoxyl radicals undergo divergent reactivity

  “神奇甲基”效应描述了与添加单个甲基相关的候选药物的效力、选择性和/或代谢稳定性的变化。我们报告了一种合成方法，可以直接甲基化各种药物样分子和药物构件中的 C(sp 3 )–H 键。在温和条件下，可见光引发的三重态能量转移促进二叔丁基或过氧化二异丙苯中O-O键的均裂。产生的烷氧基自由基经历不同的反应性，要么从底物 C-H 键进行氢原子转移，要么通过 β-甲基断裂生成甲基自由基。这些步骤的相对速率可以通过改变反应条件或过氧化物取代基来调节，以优化由镍介导的底物和甲基自由基的交叉偶联产生的甲基化产物的产率。
• Bis(piperazinyl or homopiperazinyl)alkanes
  申请人：Boehringer Ingelheim Ltd.

  公开号：US04725597A1

  公开（公告）日：1988-02-16

  Compounds of the formula ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, and R.sub.6 are independently hydrogen, alkyl of 1 to 4 carbon atoms, hydroxyl, alkoxy of 1 to 4 carbon atoms, alkanoyloxy of 1 to 4 carbon atoms, halogen, trihalomethyl, di(lower alkyl of 1 to 4 carbon atoms)amino, (alkoxy of 1 to 4 carbon atoms)carbonyl, nitro, cyano or alkanoyl of 1 to 3 carbon atoms; R.sub.7 and R.sub.8 are independently hydrogen, methyl, hydroxyl, carboxyl, (alkoxy of 1 to 4 carbon atoms)carbonyl, hydroxymethyl, phenyl, or p-chlorophenyl; R.sub.9 and R.sub.10 are independently hydrogen or methyl; j and k are independently 0, 1, 2, or 3, their sum being no more than 4; m and n are independently 0, 1, 2, or 3, their sum being no more than 4; A is --CH.sub.2 -- or --CH.sub.2 --CH.sub.2 --; R.sub.7 and R.sub.9 together are oxo, provided k is other than o; R.sub.8 and R.sub.10 together are oxo, provided m is other than o; R.sub.11 and R.sub.12 independently represent hydrogen or one to four methyl substituents on the carbon atoms of the piperazine ring (A=--CH.sub.2 --); R.sub.13, R.sub.14, R.sub.15, and R.sub.16 are independently hydrogen or methyl; R.sub.13 and R.sub.14 together are oxo; R.sub.15 and R.sub.16 together are oxo; and X is alkylene of 1 to 2 carbon atoms, optionally hydroxy-substituted; or a non-toxic, pharmacologically acceptable acid addition salt thereof, are useful as antiallergic and anti-inflammatory agents.

  式为##STR1##的化合物，其中R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5和R.sub.6独立地为氢、1至4个碳原子的烷基、羟基、1至4个碳原子的烷氧基、1至4个碳原子的烷酰氧基、卤素、三卤甲基、1至4个碳原子的低烷基)氨基、(1至4个碳原子的烷氧基)羰基、硝基、氰基或1至3个碳原子的烷酰基；R.sub.7和R.sub.8独立地为氢、甲基、羟基、羧基、(1至4个碳原子的烷氧基)羰基、羟甲基、苯基或对氯苯基；R.sub.9和R.sub.10独立地为氢或甲基；j和k独立地为0、1、2或3，它们的和不超过4；m和n独立地为0、1、2或3，它们的和不超过4；A为--CH.sub.2 --或--CH.sub.2 --CH.sub.2 --；R.sub.7和R.sub.9一起为氧代，条件是k不等于o；R.sub.8和R.sub.10一起为氧代，条件是m不等于o；R.sub.11和R.sub.12独立地表示对哌嗪环的碳原子上的氢或一个到四个甲基取代基（A=--CH.sub.2 --）；R.sub.13、R.sub.14、R.sub.15和R.sub.16独立地为氢或甲基；R.sub.13和R.sub.14一起为氧代；R.sub.15和R.sub.16一起为氧代；X为1至2个碳原子的烷基，可选地为羟基取代；或其非毒性、药理学上可接受的酸盐，可用作抗过敏和抗炎药物。
• Cobalt-Catalyzed Chelation-Assisted Alkylation of Arenes with Primary and Secondary Alkyl Halides
  作者：Naohiko Yoshikai、Ke Gao、Takeshi Yamakawa

  DOI：10.1055/s-0033-1338658

  日期：——

  center to the alkyl halide to form the corresponding alkyl radical, which has a finite lifetime before it undergoes C–C bond formation. Cobalt–N-heterocyclic carbene catalytic systems have been developed for chelation-assisted ortho-alkylation of aromatic compounds with alkyl halides. Aryl imines can be selectively monoalkylated at room temperature by various primary or secondary alkyl chlorides or

  摘要 已经开发了钴-N-杂环卡宾催化体系，用于将芳族化合物与烷基卤化物进行螯合辅助的正烷基化。芳亚胺可以在室温下被各种伯或仲烷基氯化物或溴化物选择性地单烷基化。该催化体系也可以应用于2-芳基吡啶衍生物，其在不存在位阻的情况下可以通过过量的烷基卤来进行二烷基化。包括立体化学探针和自由基钟的反应在内的机械实验表明，该反应涉及从钴中心到卤代烷的单电子转移，从而形成相应的烷基，在经历C–C键形成之前，其寿命有限。 已经开发了钴-N-杂环卡宾催化体系，用于将芳族化合物与烷基卤化物进行螯合辅助的正烷基化。芳亚胺可以在室温下被各种伯或仲烷基氯化物或溴化物选择性地单烷基化。该催化体系也可以应用于2-芳基吡啶衍生物，其在不存在位阻的情况下可以通过过量的烷基卤来进行二烷基化。包括立体化学探针和自由基钟的反应在内的机械实验表明，该反应涉及从钴中心到卤代烷的单电子转移，从而形成相应的烷基，在经历C–C键形成之前，其寿命有限。
• [EN] SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS<br/>[FR] ACIDES SUBSTITUES THIENYLHYDROXAMIQUES UTILISES EN TANT QU'INHIBITEURS D'HISTONE DESACETYLASE
  申请人：ARGENTA DISCOVERY LTD

  公开号：WO2004013130A1

  公开（公告）日：2004-02-12

  A compound of formula (I): which can be used in the treatment of diseases associated with histone deacetylase enzymatic activity.

  化合物的化学式（I）：可用于治疗与组蛋白去乙酰化酶活性相关的疾病。