1-(4-溴丁氧基)-2-氯代苯 | 23468-00-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(4-溴丁氧基)-2-氯代苯
• 中文别名: 1-(4-溴丁氧基)-2-氯苯
• 英文名称: 1-(4-bromobutoxy)-2-chlorobenzene
• 英文别名: ether, 4-bromobutyl O-chlorophenyl；4-(chlorophenoxy)-1-bromobutane；4-(2-Chlor-phenoxy)-butylbromid；4-(o-Chlorphenoxy)-butylbromid
• CAS: 23468-00-0
• 化学式: C₁₀H₁₂BrClO
• 分子量: 263.562
• InChiKey: UTWADTJNQWXWIA-UHFFFAOYSA-N

物化性质

• 沸点：
  320.2±22.0 °C(Predicted)
• 密度：
  1.401±0.06 g/cm3(Predicted)
• 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)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S37/39
• 危险类别码：
  R20/22,R36/37/38
• 海关编码：
  2909309090
• 储存条件：
  存放于阴凉干燥处。

SDS

Name:	1-(4-Bromobutoxy)-2-chlorobenzene Material Safety Data Sheet
Synonym:
CAS:	23468-00-0

Section 1 - Chemical Product MSDS Name:1-(4-Bromobutoxy)-2-chlorobenzene Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
23468-00-0	1-(4-Bromobutoxy)-2-chlorobenzene		unlisted

Hazard Symbols: XN
Risk Phrases: 20/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation and if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract irritation.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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:

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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. Combustible liquid.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 23468-00-0: 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: Liquid
Color: Not available.
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: >200 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H12BrClO
Molecular Weight: 263.56

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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, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen bromide, chloride fumes, bromine fumes, chlorinated phenols, bromide fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 23468-00-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Bromobutoxy)-2-chlorobenzene - 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: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/22 Harmful by inhalation and if swallowed.
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# 23468-00-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 23468-00-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23468-00-0 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：

  1-(4-溴丁氧基)-2-氯代苯 在 sodium sulfite 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 0.25h， 生成 Sodium;4-(2-chlorophenoxy)butane-1-sulfonate
  参考文献：
  名称：

  Microwave-assisted synthesis of sodium sulfonates precursors of sulfonyl chlorides and fluorides

  摘要：

  We describe the use of a microwave reaction for the conversion of various bromides to sodium sulfonates that have been further elaborated to sulfonyl chlorides. This new approach leads to much improved yields and shorter reaction times. Representative sulfonyl chlorides serve as precursors for the respective sulfonyl fluorides that are potent inhibitors of the fatty acid amide hydrolase. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.167
• 作为产物：
  描述：

  1,4-二溴丁烷 、 邻氯苯酚 在 sodium hydride 作用下， 以 mineral oil 为溶剂， 反应 2.5h， 以80%的产率得到1-(4-溴丁氧基)-2-氯代苯
  参考文献：
  名称：

  镍催化的非活化仲烷基溴化物和碘化物的Sonogashira反应

  摘要：

  昵称反应：首次完成末端炔与未活化的仲烷基碘和溴化物的标题反应。该反应为合成取代炔烃提供了一种新的实用方法（见方案； cod = cyclo-1,5-辛二烯）。

  DOI：

  10.1002/anie.201307069

文献信息

• [EN] DOPAMINE D2 RECEPTOR LIGANDS<br/>[FR] LIGANDS DES RÉCEPTEURS DOPAMINERGIQUES D2
  申请人：BROAD INST INC

  公开号：WO2016100940A1

  公开（公告）日：2016-06-23

  The present invention relates to novel dopamine D2 receptor ligands. The invention further relates to functionally-biased dopamine D2 receptor ligands and the use of these compounds for treating or preventing central nervous system and systemic disorders associated with dysregulation of dopaminergic activity. The present invention relates to novel compounds that modulate dopamine D2 receptors. In particular, compounds of the present invention show functional selectivity at the dopamine D2 receptors and exhibit selectivity downstream of the D2 receptors, on the 0- arrestin pathway and/or on the cAMP pathway.

  本发明涉及新型多巴胺D2受体配体。该发明进一步涉及功能偏向的多巴胺D2受体配体以及利用这些化合物治疗或预防与多巴胺活性失调相关的中枢神经系统和全身性疾病。本发明涉及调节多巴胺D2受体的新型化合物。具体而言，本发明的化合物在多巴胺D2受体上显示功能选择性，并在D2受体下游、0-阿雷斯汀途径和/或cAMP途径上表现出选择性。
• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSES ORGANIQUES
  申请人：SPEEDEL EXPERIMENTA AG

  公开号：WO2005061457A1

  公开（公告）日：2005-07-07

  Novel substituted piperidines of the general formulae (I) and (II) with the substituent definitions as explained in detail in the description are described. The compounds are suitable in particular as renin inhibitors and are highly potent.

  描述了一种具有一般式(I)和(II)的新型替代哌啶化合物，其中详细说明了取代基定义。这些化合物特别适用作为肾素抑制剂，并且具有很高的效力。
• [EN] ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES<br/>[FR] DERIVES TRIAZOLYLE ANTIFONGIQUES 1, 2, 4
  申请人：BASF SE

  公开号：WO2010146112A1

  公开（公告）日：2010-12-23

  The present invention relates to novel triazole compounds of the formulae (I), (II) and (IV) as defined below, to agricultural and pharmaceutical compositions containing them and to their use as fungicides, antimycotic, anticancer and antiviral agents.

  本发明涉及以下定义的新型三唑化合物的公式（I）、（II）和（IV），以及含有它们的农药和药物组合物，以及它们作为杀真菌剂、抗真菌剂、抗癌剂和抗病毒剂的用途。
• Organic compounds
  申请人：Herold Peter

  公开号：US20090012055A1

  公开（公告）日：2009-01-08

  Novel substituted piperidines of the general formulae (I) and (II) with the substituent definitions as explained in detail in the description are described. The compounds are suitable in particular as renin inhibitors and are highly potent.

  描述了一种通式为(I)和(II)的新型替代哌啶，其中所述的取代基定义在详细说明中。这些化合物特别适用于作为肾素抑制剂，并且具有高度的效力。
• Imidazoles
  申请人：BEECHAM GROUP PLC

  公开号：EP0049060A1

  公开（公告）日：1982-04-07

  A compound of the formula (I): or a pharmaceutically acceptable salt thereof, wherein: A is an alkylene group of 2 to 6 chain carbon atoms, one or two of which chain carbon atoms may be branched by one or two C1-4 alkyl groups; R, represents hydrogen, or one or more halogen, C1-4 alkyl, C1-4 alkoxy or CF3; and R2 represents C1-4 alkyl; has useful antidepressant activity.

  式(I)化合物 或其药学上可接受的盐，其中 A 是 2 至 6 个链状碳原子的亚烷基，其中一个或两个链状碳原子可由一个或两个 C1-4 烷基支化； R 代表氢，或一个或多个卤素、C1-4 烷基、C1-4 烷氧基或 CF3；以及 R2代表C1-4烷基；具有有效的抗抑郁活性。