1-(4-丁氧基溴)-2,4-二氯苯 | 37395-50-9

• 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-(4-丁氧基溴)-2,4-二氯苯
• 中文别名: 1-(4-溴丁氧基)-2,4二氯苯
• 英文名称: 1-bromo-4-(2',4'-dichlorophenoxy)butane
• 英文别名: 1-(4-bromobutoxy)-2,4-dichloro-benzene；1-(4-bromobutoxy)-2,4-dichlorobenzene；4'-Brombutoxy-2,4-dichlorbenzol
• CAS: 37395-50-9
• 化学式: C₁₀H₁₁BrCl₂O
• 分子量: 298.007
• InChiKey: FCJOVHHJWFKJNP-UHFFFAOYSA-N

物化性质

• 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)：
  5.1
• 重原子数：
  14
• 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：
  存储在阴凉干燥的环境中。

SDS

Name:	1-(4-Bromobutoxy)-2 4-dichlorobenzene Material Safety Data Sheet
Synonym:
CAS:	37395-50-9

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

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
37395-50-9	1-(4-Bromobutoxy)-2,4-dichlorobenzene		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# 37395-50-9: 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: C10H11BrCl2O
Molecular Weight: 298.01

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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# 37395-50-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Bromobutoxy)-2,4-dichlorobenzene - 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# 37395-50-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 37395-50-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 37395-50-9 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-丁氧基溴)-2,4-二氯苯 、 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)propan-1-one nitrate 在 四丁基氢氧化铵 、 sodium hydroxide 、 硝酸 作用下， 以 水 、 甲苯 、 异丙醇 为溶剂， 反应 20.0h， 生成 1-[1-[4-(2,4-dichlorophenoxy)butoxy]-1-(2,4-difluorophenyl)prop-1-en-2-yl]-1,2,4-triazole;nitric acid
  参考文献：
  名称：

  Synthesis and biological evaluation of vinyl ether-containing azole derivatives as inhibitors of Trichophyton rubrum

  摘要：

  In an attempt to search for many target compounds with excellent activities, a series of vinyl ether-containing azole derivatives were designed, synthesized, and evaluated as antifungal agents. Results of preliminary antifungal tests against Trichophyton rubrum in vitro indicated that most of the synthesized compounds showed excellent activities. In comparison with fluconazole, itraconazole, voriconazole, omoconazole and amphotericin B, several compounds (such as 7d, 7g and 7h) exhibited more potent inhibitory activities, suggesting that they were promising leads for the development of novel antifungal agents. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.070
• 作为产物：
  描述：

  1,4-二溴丁烷 、 2,4-二氯酚 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以74.5%的产率得到1-(4-丁氧基溴)-2,4-二氯苯
  参考文献：
  名称：

  二氨基二氢三嗪衍生物、其盐、制备方法、组 合物及应用

  摘要：

  本发明公开了二氨基二氢三嗪衍生物、其盐、制备方法、组合物及应用。该二氨基二氢三嗪衍生物或其盐的制备方法包括：方法一：将通式IV化合物与通式V化合物反应制备得到通式I化合物；方法二：在酸性条件下，将通式VIII化合物与通式II化合物混合，进行环合反应，得通式I所示的化合物。本发明还提供了上述二氨基二氢三嗪衍生物或其盐在制备人二氢叶酸还原酶抑制剂、防治肿瘤药物或防治细菌性感染疾病药物中的应用。本发明还提供了一种药物组合物，其含有治疗有效量的上述二氨基二氢三嗪衍生物和/或其盐，以及药学上可接受的载体。本发明的二氨基二氢三嗪螺杂环衍生物对人二氢叶酸还原酶、肿瘤细胞、细菌具有优异的抑制活性。

  公开号：

  CN103664972B

文献信息

• [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。
• Design, synthesis, antibacterial and QSAR studies of benzimidazole and imidazole chloroaryloxyalkyl derivatives
  作者：A. Khalafi-Nezhad、M.N. Soltani Rad、H. Mohabatkar、Z. Asrari、B. Hemmateenejad

  DOI：10.1016/j.bmc.2005.01.014

  日期：2005.3

  In view of obtaining some potential antibacterial compounds, we have described synthesis of some chloroaryloxyalkyl imidazole and benzimidazole derivatives. The relevant step in the synthetic sequence was the initial condensation of 4-chloro or 2,4-dichlorophenol with 1, n-dibromoalkanes (n = 2, 4, 5) to provide compounds 3a-f in sufficient yields. The subsequent condensation of 3a-f with some imidazole derivatives and benzimidazole afforded products 4a-1 and 5a-e in good yields. Some of compounds 4a-1 as well as 5a-e were tested in vitro against Salmonella typhi O-901 and Staphylococcus aureus A 15091. Compounds 4a and 4c showed considerable bactericidal activities against tested bacteria. Compound 4b showed significant activity against S. aureus A 15091 but was inactive against S. typhi O-901. Other compounds showed intermediate activities against S. aureus A 15091 but most of them were inactive against S. typhi O-901. Serniempirical AM1 calculations showed that negative electrostatic potentials around oxygen of the phenoxy and nitrogen of the imidazole moieties have direct effect on the antibacterial activity towards S. aureus A 15091. In QSAR analysis, different electronic, topologic, functional groups and physicochemical descriptors were calculated for each molecule and a three parametric equation was found between the log MIC and HOMO energy, hydration energy and number of primary carbon atoms of the molecules. (c) 2005 Elsevier Ltd. All rights reserved.
• Ejmocki,Z.; Eckstein,Z., Roczniki Chemii, 1971, vol. 45, p. 345 - 353
  作者：Ejmocki,Z.、Eckstein,Z.

  DOI：——

  日期：——
• ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES
  申请人：BASF SE

  公开号：EP2443098A1

  公开（公告）日：2012-04-25
• Antifungal 1,2,4-triazolyl Derivatives
  申请人：Renner Jens

  公开号：US20120088660A1

  公开（公告）日：2012-04-12

  The present invention relates to novel triazole compounds of the formulae I and II as defined below which carry a sulfur substituent, to agricultural compositions containing them, to their use as fungicides and to intermediate compounds used in the method of producing them.