溴乙酸丁酯 | 18991-98-5

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 溴乙酸丁酯
• 中文别名: 4-溴丁酯
• 英文名称: n-butyl bromoacetate
• 英文别名: butyl bromoacetate；butyl 2-bromoacetate；n-butyl monobromoacetate
• CAS: 18991-98-5
• 化学式: C₆H₁₁BrO₂
• 分子量: 195.056
• InChiKey: NMEGSGKCIWQRDB-UHFFFAOYSA-N

物化性质

• 熔点：
  158-160 °C(Solv: water (7732-18-5))
• 沸点：
  78 °C(Press: 10 Torr)
• 密度：
  1.352±0.06 g/cm3(Predicted)
• 保留指数：
  1067.8;1075.2

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

SDS

Name:	4-Bromobutyl acetate 98% Material Safety Data Sheet
Synonym:	None
CAS:	18991-98-5

Section 1 - Chemical Product MSDS Name:4-Bromobutyl acetate 98% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18991-98-5	4-Bromobutyl acetate, 98%	98%	242-729-9

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Ingestion of large amounts may cause gastrointestinal irritation.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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.
Extinguishing Media:
Use carbon dioxide or dry chemical.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 18991-98-5: 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:
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 slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 92 - 93 deg C @ 12.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 109 deg C ( 228.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.3480g/cm3
Molecular Formula: C6H11BrO2
Molecular Weight: 195.06

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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.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 18991-98-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Bromobutyl acetate, 98% - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 18991-98-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18991-98-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18991-98-5 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

制备方法与用途

类别：有毒物品

可燃性危险特性：

• 明火可燃
• 遇热会释放有毒溴化物气体

储运特性：

• 应存放在通风、低温和干燥的库房中
• 与食品、氧化剂及酸类分开储存和运输

灭火剂：

• 泡沫、干粉、二氧化碳或砂土

反应信息

• 作为反应物：
  描述：

  溴乙酸丁酯 在 dirhodium tetraacetate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 N,N′-双(对甲苯磺酰)肼 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.5h， 生成
  参考文献：
  名称：

  [EN] NOVEL MACROCYLES AND METHODS FOR THEIR PRODUCTION
  [FR] NOUVEAUX MACROCYLES ET LEURS PROCÉDÉS DE PRODUCTION

  摘要：

  提供了化合物的结构式（I）或其药用盐：其中变量R1-R3如描述中所述，这些化合物可用作具有减少全身效应的抗炎药物。

  公开号：

  WO2011045593A1
• 作为产物：
  描述：

  溴乙酰氯 、 正丁醇 生成 溴乙酸丁酯
  参考文献：
  名称：

  Piekarski,S. et al., Bulletin de la Societe Chimique de France, 1967, p. 4055 - 4062

  摘要：

  DOI：

文献信息

• Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases
  申请人：——

  公开号：US20020082271A1

  公开（公告）日：2002-06-27

  Compounds of the formula 1 having an inhibitory effect on signal transduction mediated by tyrosine kinases and their use in the treatment of diseases, especially tumoral diseases and diseases of the lungs and airways, and the preparation thereof.

  具有抑制酪氨酸激酶介导的信号转导作用的化合物的公式1，以及其在治疗疾病，特别是肿瘤性疾病和肺部及气道疾病中的用途，以及其制备方法。
• PROCESS FOR PREPARING LACIDIPINE
  申请人：Sajja Eswaraiah

  公开号：US20070043088A1

  公开（公告）日：2007-02-22

  A process for preparing lacidipine, comprising reacting a t-butoxy carbonyl methyl aryl phosphonium halide with o-phthalaldehyde, and further reacting a product comprising (E)-3-(2-formylphenyl)-2-propenoic acid, 1,1-dimethyl ethyl ester, without isolation, with ethyl-3-amino crotonate.

  一种制备拉西地平的方法，包括将叔丁氧羰基甲基芳基磷銨鹽与邻苯二甲醛反应，进一步将产物（E）-3-(2-甲酰基苯基)-2-丙烯酸，1,1-二甲基乙基酯与乙基-3-氨基巴豆酸酯在不经过分离的情况下反应。
• [EN] COMPOUNDS USEFUL AS CSF1 MODULATORS<br/>[FR] COMPOSÉS UTILES EN TANT QUE MODULATEURS DU FACTEUR 1 DE STIMULATION DE COLONIES
  申请人：REDX PHARMA PLC

  公开号：WO2016051193A1

  公开（公告）日：2016-04-07

  This invention relates to novel compounds and to pharmaceutical compositions comprising the novel compounds. More specifically, the invention relates to compounds useful as Colony Stimulating Factor 1 Receptor (cFMS) modulators (e.g. cFMS inhibitors). This invention also relates to processes for preparing the compounds, uses of the compounds in treatment and methods of treatment employing the compounds. Specifically, the invention relates to the use of the compounds for the treatment of cancer and autoimmune diseases.

  这项发明涉及新颖化合物以及包含这些新颖化合物的药物组合物。更具体地，该发明涉及用作集落刺激因子1受体（cFMS）调节剂（例如cFMS抑制剂）的化合物。这项发明还涉及制备这些化合物的方法，这些化合物在治疗中的用途以及利用这些化合物进行治疗的方法。具体而言，该发明涉及利用这些化合物治疗癌症和自身免疫性疾病。
• Cyclosporin Derivatives
  申请人：Fischer Gunter

  公开号：US20120196749A1

  公开（公告）日：2012-08-02

  A cyclosporin derivative of general Formula (I) or a pharmaceutically compatible salt thereof, which have a pharmaceutical effectiveness, for example in the case of chronic inflammatory diseases. The cyclosporin derivatives are preferably free from a peptide section capable of passing through the membrane of a biological cell.

  一种一般式（I）的环孢霉素衍生物或其药用兼容盐，具有药用效果，例如在慢性炎症性疾病的情况下。这些环孢霉素衍生物最好不含能够穿过生物细胞膜的肽段。
• Cross coupling of sulfonyl radicals with silver-based carbenes: a simple approach to β-carbonyl arylsulfones
  作者：Hanghang Wang、Pengcheng Lian、Yonggao Zheng、Jingjing Li、Xiaobing Wan

  DOI：10.1039/d0ob00091d

  日期：——

  A radical–carbene coupling reaction of sulfonyl radicals and silver-based carbenes has been well established, which provides an efficient approach to various β-carbonyl arylsulfones.

  亚磺酰自由基与银基卡宾的自由基-卡宾偶联反应已经得到了很好的建立，这为合成各种β-酮基芳基亚磺酰提供了有效的方法。

表征谱图