2-氨基-3,5-二溴三氟甲苯 | 71757-14-7

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟甲苯系列
• 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: 2-氨基-3,5-二溴三氟甲苯
• 中文别名: 2,4-二溴-6-(三氟甲基)苯胺
• 英文名称: 2,4-dibromo-6-(trifluoromethyl)aniline
• CAS: 71757-14-7
• 化学式: C₇H₄Br₂F₃N
• 分子量: 318.919
• InChiKey: ZYBKXMTWWFTYKN-UHFFFAOYSA-N

物化性质

• 熔点：
  39-41°C
• 沸点：
  58 °C
• 密度：
  1.9954 (rough estimate)
• 闪点：
  57-59°C/0.7mm
• 稳定性/保质期：

  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2921420090
• 包装等级：
  III
• 储存条件：
  应将存放在密封容器内，并放置在阴凉、干燥处。储存地点须远离氧化剂。

SDS

Name:	2-Amino-3 5-dibromobenzotrifluoride Material Safety Data Sheet
Synonym:	2,4-Dibromo-6-trifluoromethylaniline
CAS:	71757-14-7

Section 1 - Chemical Product MSDS Name:2-Amino-3 5-dibromobenzotrifluoride Material Safety Data Sheet
Synonym:2,4-Dibromo-6-trifluoromethylaniline

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
71757-14-7	2-Amino-3,5-dibromobenzotrifluoride	98	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation. Can produce delayed pulmonary edema.
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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use carbon dioxide, dry chemical, or water fog.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 71757-14-7: 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: Powder
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 58 deg C @ 0.7 mmHg
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: C7H4Br2F3N
Molecular Weight: 318.8379

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 71757-14-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-3,5-dibromobenzotrifluoride - 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: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin 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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 71757-14-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 71757-14-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 71757-14-7 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：

  2-氨基-3,5-二溴三氟甲苯 生成 2-Trifluoromethyl-4,6-dibromo-N-nitroaniline
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  邻氨基三氟甲苯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到2-氨基-3,5-二溴三氟甲苯
  参考文献：
  名称：

  使内环化再次变得有利：通过叠氮化物基团对2-叠氮基芳基溴化物进行锂化/环化的概念上新的苯并三唑合成方法

  摘要：

  尽管苯并三唑是重要的且无处不在，但目前仅有一种概念上的合成方法：将两个邻氨基与亲电氮原子桥连。在此，我们公开了新的可行的选择-将内获得2 azidoaryl lithiums -cyclization原位从2 azidoaryl溴化物。使用二十四个带有各种烷基，烷氧基，全氟烷基和卤素取代基的实例来说明反应的范围。我们发现叠氮化物基团的导向作用允许在含有几个溴原子的芳基叠氮化物中进行选择性的金属-卤素交换。此外，（2-溴苯基）重氮甲烷经历类似的环化以生成吲唑。因此，芳基锂的环化包含邻-X = Y = Z基团是合成芳族杂环的一种新的通用方法。DFT计算表明，观察到的内选择性适用于经历“ 1,1-加成”（即叠氮化物，重氮化合物和异腈）的其他官能团的阴离子环化反应。与此相反，与遵循“1,2-加成”图案（氰酸酯，硫氰酸酯，异氰酸酯，异硫氰酸酯，和腈）的杂原子官能团的环化反应倾向于外-cyclizat

  DOI：

  10.1039/c9ob00615j

文献信息

• 2-iminopyridine nickel(II) complexes bearing electron-withdrawing groups in the ligand core: Synthesis, characterization, ethylene oligo- and polymerization behavior
  作者：Artem A. Antonov、Nina V. Semikolenova、Evgenii P. Talsi、Mikhail A. Matsko、Vladimir A. Zakharov、Konstantin P. Bryliakov

  DOI：10.1016/j.jorganchem.2016.08.031

  日期：2016.11

  NMR and X-ray diffraction studies. Those complexes, activated with MAO, have been found to be highly active in the oligomerization and polymerization of ethylene (up to 9600 kg (mol of Ni)−1 h−1 bar−1), affording highly branched low-MW PE or ethylene oligomers, predominantly butenes and hexenes. The dependence of content and ratio of ethylene oligomers as well as of the polymer characteristics (molecular

  合成了一系列新颖的2-[（（芳基）烷基]吡啶]衍生物，其芳基环中含有吸电子基团（F，Cl，Br，CF 3，NO 2，CN），其特征在于1 H，13 13 C和19 F NMR光谱。相应的镍（II）配合物（24种配合物）已经以高收率制备。Ni络合物的性质已通过元素分析，顺磁性1 H NMR和X射线衍射研究确定。已发现那些被MAO活化的络合物在乙烯的低聚和聚合反应中具有很高的活性（高达9600 kg（Ni摩尔）-1  h -1  bar -1），可提供高度支化的低分子量PE或乙烯低聚物，主要是丁烯和己烯。已经系统地分析了乙烯低聚物的含量和比例以及聚合物特性（分子量，支化度）对芳基（亚氨基）和吡啶环中取代基的性质的依赖性。负载在二氧化硅-氧化铝上的（E）-N-（1-（吡啶-2-基）亚乙基）-2-（三氟甲基）苯胺Ni络合物提供的聚乙烯具有更高的分子量，更宽的分子量分布和更低的支化度均相催化剂。
• Method for the control of stem growth and stem stiffness of graminaceous
  申请人：American Cyanamid Company

  公开号：US04643755A1

  公开（公告）日：1987-02-17

  The invention is a novel method for the control of the relative stem growth of graminaceous crops, comprising applying to the foliage, stems, roots or seeds of said plants, or to the soil in which said plants are grown, a plant growth regulating amount of a substituted phenylnitramine.

  这项发明是一种用于控制禾本科作物相对茎部生长的新方法，包括向这些植物的叶片、茎、根或种子，或这些植物生长的土壤中施加一定量的取代苯基硝胺植物生长调节剂。
• Cycloalkyl substituted N-nitrourea derivatives: a convenient synthesis and biological evaluation
  作者：Zhongyuan Bai、Zengjun Wei、Yunchun Wang、Shengzhen Xu、Xuegang Li、Changshui Chen、Xiufang Cao

  DOI：10.1007/s11164-011-0293-z

  日期：2011.10

  A series of N-nitrourea derivatives bearing various cycloalkyl were conveniently obtained via three steps including nitration, carbamic chlorination, and aminolysis reactions. The structures of all newly synthesized compounds were elucidated and confirmed by IR, 1H NMR, 13C NMR, and elemental analysis. The preliminary bioassay indicated that the target compounds exhibited moderate herbicidal activity against Amaranthus albus and Sorghum sudanense. However, some of the title compounds presented high plant growth regulating activity against rice.

  通过硝化、氨基氯化、氨解反应三步，方便地得到了一系列带有各种环烷基的N-硝基脲衍生物。所有新合成的化合物的结构均通过IR、1H NMR、13C NMR和元素分析进行​​了阐明和证实。初步生物测定表明，目标化合物对白苋和苏丹高粱表现出中等程度的除草活性。然而，一些标题化合物对水稻表现出高植物生长调节活性。
• Disperse Azo Dyes
  申请人：Nowack Patric

  公开号：US20130255011A1

  公开（公告）日：2013-10-03

  The present invention relates to disperse azo dyes based on diazo components having at least one fluorine-containing substituent and an 2,6-diaminosubstituted pyridine coupling component, to a process for the preparation of such dyes and to their use in the dyeing or printing of semi-synthetic and, especially, synthetic hydrophobic fibre materials, more especially textile materials.

  本发明涉及基于具有至少一个含氟取代基和2,6-二氨基取代吡啶偶联组分的偶氮成分的分散偶氮染料，以及制备这种染料的方法和它们在半合成和特别是合成疏水纤维材料，尤其是纺织材料的染色或印刷中的应用。
• [EN] DISPERSE AZO DYES<br/>[FR] COLORANTS AZOÏQUES DISPERSÉS
  申请人：HUNTSMAN ADV MAT SWITZERLAND

  公开号：WO2012084417A1

  公开（公告）日：2012-06-28

  The present invention relates to disperse azo dyes based on diazo components having at least one fluorine-containing substituent and an 2,6-diaminosubstituted pyridine coupling component, to a process for the preparation of such dyes and to their use in the dyeing or printing of semi-synthetic and, especially, synthetic hydrophobic fibre materials, more especially textile materials.

  本发明涉及基于二氮化物组分的分散偶氮染料，其具有至少一个含氟取代基和2,6-二氨基取代吡啶偶联组分，以及制备这种染料的过程和它们在半合成和特别是合成疏水纤维材料，更特别是纺织材料的染色或印刷中的应用。