2-氯-1,4-二溴苯 | 3460-24-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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-氯-1,4-二溴苯
• 中文别名: 1-氯-2,5-二溴苯
• 英文名称: 1,4-dibromo-2-chlorobenzene
• 英文别名: 1-chloro-2,5-dibromobenzene
• CAS: 3460-24-0
• 化学式: C₆H₃Br₂Cl
• 分子量: 270.351
• InChiKey: LOWQAATYMJIWOG-UHFFFAOYSA-N

物化性质

• 熔点：
  39-42 °C
• 沸点：
  115°C/20mm
• 密度：
  2.021±0.06 g/cm3 (20 ºC 760 Torr)
• 闪点：
  119.6±11.9℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  IRRITANT, IRRITANT-HARMFUL
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2903999090
• 安全说明：
  S26,S37/39
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

Name:	1-Chloro-2 5-Dibromobenzene 99+% Material Safety Data Sheet
Synonym:	None Known
CAS:	3460-24-0

Section 1 - Chemical Product MSDS Name:1-Chloro-2 5-Dibromobenzene 99+% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3460-24-0	1-Chloro-2,5-Dibromobenzene	99+%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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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.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 3460-24-0: 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: Solid
Color: off-white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 39.00 - 41.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula: C6H3ClBr2
Molecular Weight: 270.34

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, irritating and toxic fumes and gases, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3460-24-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Chloro-2,5-Dibromobenzene - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 3460-24-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3460-24-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3460-24-0 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：

  2-氯-1,4-二溴苯 在 盐酸 、 硫酸 作用下， 生成 1,4-二溴-2-氯-3,5-二硝基苯
  参考文献：
  名称：

  Joshi; Gupta, Journal of the Indian Chemical Society, 1952, vol. 29, p. 193

  摘要：

  DOI：
• 作为产物：
  描述：

  2,5-二溴苯胺 生成 2-氯-1,4-二溴苯
  参考文献：
  名称：

  Hurtley, Journal of the Chemical Society, 1901, vol. 79, p. 1297

  摘要：

  DOI：

文献信息

• Photoreactions of Polyhalobenzenes in Benzene. Formation of Terphenyls
  作者：Masahiro Nakada、Chihiro Miura、Hideaki Nishiyama、Futoshi Higashi、Toru Mori、Minoru Hirota、Tetsuo Ishii

  DOI：10.1246/bcsj.62.3122

  日期：1989.10

  Polychlorobenzenes, polybromobenzenes, and polychloropolybromobenzenes (C6H6−nXn) were photolyzed in benzene solutions; the products were analyzed by the GC/MS method. Both dehalogenation and phenylation were shown to take place competitively, producing (poly)halobenzenes bearing one less halogen atom (C6H7−nXn−1) and (poly)halobiphenyls (C6H6−nXn−1–C6H5) as the major products. Besides these products

  多氯苯、多溴苯和多氯多溴苯（C6H6−nXn）在苯溶液中光解；产物采用 GC/MS 方法分析。脱卤和苯基化都显示出竞争性，产生少一个卤素原子的（多）卤代苯（C6H7-nXn-1）和（多）卤代联苯（ -nXn-1-C6H5）作为主要产品。除了这些产品之外，三联苯是通过形成的卤代联苯的连续苯基化产生的。只有当通过 2-氯联苯的途径成为可能时，多氯苯才会形成相应的三联苯；然而，多溴苯可以通过中间形成的任何异构溴联苯产生三联苯。还显示通过氯原子的间迁移发生异构化的程度要小得多。
• 一种芳香二羧酸衍生物的制备方法
  申请人：上海若济生物医药科技有限公司

  公开号：CN112457180A

  公开（公告）日：2021-03-09

  本发明提供了一种芳香二羧酸衍生物的制备方法，包括如下步骤：步骤一，在溶剂中，二卤代芳烃与金属氰化物在金属催化下于40～200℃发生偶联反应，反应结束后经萃取分层浓缩后得到二氰基化合物；步骤二，所得二氰基化合物在酸性条件下于60～200℃发生水解反应，经后处理后得到最后产物。本发明提供的芳香二羧酸衍生物的制备方法以二卤代芳烃与金属氰化物反应，继而与酸性条件下水解得到芳香酸或其衍生物，具有原料廉价易得、操作简便、收率高、三废处置简单、产品质量高、底物耐受性好等显著优点。
• [EN] MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES<br/>[FR] MATIÈRES POUR DISPOSITIFS ÉLECTROLUMINESCENTS ORGANIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO2016078738A1

  公开（公告）日：2016-05-26

  The present invention relates to compounds of the formula (1) which are suitable for use in electronic devices, in particular organic electroluminescent devices, and to electronic devices which comprise these compounds.

  本发明涉及式（1）的化合物，适用于电子器件，特别是有机电致发光器件，并且涉及包含这些化合物的电子器件。
• Ligand-Free Iridium-Catalyzed Dehydrogenative <i>ortho</i> C−H Borylation of Benzyl-2-Pyridines at Room Temperature
  作者：Yuhuan Yang、Qian Gao、Senmiao Xu

  DOI：10.1002/adsc.201801292

  日期：2019.2.19

  A convenient and ligand‐free iridium‐catalyzed dehydrogenative ortho C−H borylation of benzyl‐2‐pyridines has been developed. The reaction proceeds smoothly at room temperature using pinacolborane as a borylating reagent in the presence of catalytic amount of [IrOMe(COD)]2. The reaction is compatible with many functional groups, providing a vast array of ortho borylated products in moderate to excellent

  已经开发了一种方便且无配体的铱催化的苄基-2-吡啶的脱氢邻位CHH硼氢化反应。在存在催化量的[IrOMe（COD）] 2的情况下，使用频哪醇硼烷作为硼化试剂，反应在室温下平稳进行。该反应与许多官能团相容，以中等至极好的收率和优异的选择性提供了大量的正硼酸化产物。
• 一种具有高迁移率的有机化合物及其应用
  申请人：江苏三月光电科技有限公司

  公开号：CN111662255A

  公开（公告）日：2020-09-15

  本发明涉及一种具有高迁移率的有机化合物及其应用，本发明提供的有机化合物以连接有五元并环结构的苯环为核心，本发明有机化合物具有良好的热稳定性和较高的玻璃化温度，同时具有合适的HOMO能级，采用本发明提供的有机化合物的器件通过结构优化，可有效提升OLED器件的光电性能以及OLED器件的寿命。