1-(4-溴丁氧基)-3-氯苯 | 23529-80-8

• 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)-3-氯苯
• 英文名称: 1-(4-bromobutoxy)-3-chlorobenzene
• 英文别名: m-(4-bromobutoxy)chlorobenzene；4-(3-Chlor-phenoxy)-butylbromid；4-(m-Chlorphenoxy)-butylbromid
• CAS: 23529-80-8
• 化学式: C₁₀H₁₂BrClO
• 分子量: 263.562
• InChiKey: NFQQHXYGFYKMQL-UHFFFAOYSA-N

物化性质

• 沸点：
  151-154 °C (7 mmHg)
• 密度：
  1.401±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

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：
  存放在阴凉干燥处即可。

SDS

Name:	1-(4-Bromobutoxy)-3-chlorobenzene 95% Material Safety Data Sheet
Synonym:
CAS:	23529-80-8

Section 1 - Chemical Product MSDS Name:1-(4-Bromobutoxy)-3-chlorobenzene 95% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
23529-80-8	1-(4-Bromobutoxy)-3-chlorobenzene	95%	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# 23529-80-8: 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: clear slight brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 151 - 154 deg C @7mmHg
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: >150 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# 23529-80-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Bromobutoxy)-3-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# 23529-80-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 23529-80-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23529-80-8 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)-3-氯苯 、 二甲胺 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 水 为溶剂， 反应 22.0h， 以83%的产率得到m-(4-N,N-dimethylaminobutoxy)chlorobenzene
  参考文献：
  名称：

  Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof

  摘要：

  公开号：

  EP1829857B1
• 作为产物：
  描述：

  1,4-二溴丁烷 、 3-氯苯酚 在 potassium hydroxide 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 生成 1-(4-溴丁氧基)-3-氯苯
  参考文献：
  名称：

  新型苯氧基烷基吡啶鎓肟作为沙林和VX替代物抑制胆碱酯酶的脑穿透激活剂的功效

  摘要：

  吡啶鎓肟是强亲核试剂，许多是有机磷酸酶抑制胆碱酯酶（ChE）的有效活化剂。然而，当前的肟再活化剂在穿越血脑屏障和再活化完整生物中的脑ChE方面是无效的。我们的实验室已经开发了一系列取代的苯氧基烷基吡啶鎓肟（美国专利9,227,937 B2），目的是鉴定能有效跨越血脑屏障的活化剂。发现该系列的前35个在体外具有相似的特征沙林替代品（邻苯二甲酰亚胺基异丙基甲基膦酸酯，PIMP）或VX替代品（硝基苯基乙基甲基膦酸酯，NEMP）在牛脑制剂中抑制ChE活化剂的功效，如先前在大鼠脑制剂中观察到的。这些新型肟中的许多已经显示出能够降低用高致死剂量的沙林替代品（硝基苯基异丙基甲基膦酸酯，NIMP）或VX替代NEMP处理的大鼠大脑中ChE抑制水平的能力。肟给药后2小时的再活化水平高达35％，而目前批准的治疗药物2-PAM并未降低脑ChE抑制作用。另外，有证据显示几种更有效的新型肟可减轻癫痫样行为，但2-PA

  DOI：

  10.1016/j.cbi.2016.07.004

文献信息

• [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。
• Piperidine Compounds
  申请人：Speedel Experimenta AG

  公开号：EP1961752A2

  公开（公告）日：2008-08-27

  Novel substituted piperidines of the general formulae (I) 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.

  通式为(I)的新型取代哌啶类化合物 的新型取代哌啶类化合物，其取代基定义详见说明。这些化合物尤其适合用作肾素抑制剂，而且具有很强的效力。
• Sastry, C V Reddy; Bansal, O P; Lal, B, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 5, p. 532 - 534
  作者：Sastry, C V Reddy、Bansal, O P、Lal, B、Chaturvedi, S C、Srinivas, J S、et al.

  DOI：——

  日期：——