2-氯-5-溴苯胺 | 60811-17-8

• 物质功能分类: 化学试剂 - 有机试剂 - 酰胺
• 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-5-溴苯胺
• 中文别名: 5-溴-2-氯苯胺；3-溴-6-氯苯胺
• 英文名称: 5-bromo-2-chloroaniline
• 英文别名: 2-Chlor-5-brom-anilin
• CAS: 60811-17-8
• 化学式: C₆H₅BrClN
• mdl: MFCD06796283
• 分子量: 206.469
• InChiKey: UGOLEPGQWYPIBR-UHFFFAOYSA-N

物化性质

• 熔点：
  48 °C
• 沸点：
  0°C
• 密度：
  1.722±0.06 g/cm3(Predicted)
• 闪点：
  0°C

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 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：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 海关编码：
  2921420090
• 危险性防范说明：
  P301+P312+P330
• 危险性描述：
  H302
• 储存条件：
  储存条件：室温、避光、惰性气体环境下保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-chloroaniline
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H331: Toxic if inhaled
H302: Harmful if swallowed
H312: Harmful in contact with skin
Causes skin irritation
H315:
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Bromo-2-chloroaniline
CAS number: 60811-17-8

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H5BrClN
Molecular weight: 206.5

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, hydrogen bromide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (5-Bromo-2-chloroaniline)

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氯-5-溴苯胺 在 manganese(IV) oxide 、 硫酸 作用下， 生成 2-溴-5-氯-[1,4]苯醌
  参考文献：
  名称：

  Clark, American Chemical Journal, 1892, vol. 14, p. 571

  摘要：

  DOI：
• 作为产物：
  描述：

  5-溴-2-氯硝基苯 在 镍 作用下， 以 甲醇 为溶剂， 生成 2-氯-5-溴苯胺
  参考文献：
  名称：

  Thiazolidine derivatives

  摘要：

  本发明涉及在4位具有羟基和3'-磺酰氨基-苯基取代基，在2位具有亚氨基，在1位具有脂肪族或环脂肪族取代基的噻唑烷衍生物。所述噻唑烷具有利尿活性。本发明还涉及制造所述化合物的方法。

  公开号：

  US04061761A1

文献信息

• [EN] MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PROTÉINES KINASES ACTIVÉS PAR MITOGÈNE, PROCÉDÉS DE PRODUCTION ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：UNIV WASHINGTON

  公开号：WO2019232275A1

  公开（公告）日：2019-12-05

  Compounds that inhibit mitogen-activated protein kinases (MAPKs) are disclosed. Some inhibitor compounds specifically target a single MAPK such as MAPK13, while others target multiple MAPKs such as MAPK13 and MAPK12. The compounds can be used therapeutically for a variety of diseases, including cancer and respiratory diseases. Methods of synthesis of the compounds are also disclosed.

  抑制丝裂原活化蛋白激酶（MAPKs）的化合物已被披露。一些抑制剂化合物特异性地靶向单个MAPK，如MAPK13，而其他一些则靶向多个MAPK，如MAPK13和MAPK12。这些化合物可用于治疗各种疾病，包括癌症和呼吸道疾病。该化合物的合成方法也已被披露。
• Lewis acid-catalyzed synthesis of silafluorene derivatives from biphenyls and dihydrosilanes <i>via</i> a double sila-Friedel–Crafts reaction
  作者：Yafang Dong、Yuta Takata、Yusuke Yoshigoe、Kohei Sekine、Yoichiro Kuninobu

  DOI：10.1039/c9cc07692a

  日期：——

  The synthesis of silafluorene derivatives from aminobiphenyl compounds and dihydrosilanes via a double sila-Friedel–Crafts reaction using a borane catalyst has been achieved. This method is applicable to the synthesis of a variety of silafluorene derivatives, such as multisubstituted silafluorenes, spirosilabifluorenes, and silicon-bridged terphenyl compounds, which are not readily obtained using conventional

  通过使用甲硼烷催化剂的双sila-Friedel-Crafts反应，由氨基联苯化合物和二氢硅烷合成了silafluorene衍生物。该方法适用于各种硅芴衍生物的合成，例如多取代的硅芴，螺硅双芴和硅桥联的三联苯化合物，这些都是使用常规合成方法不易获得的。另外，我们已经证明了这些硅芴衍生物中的氨基转化为其他取代基。
• [EN] TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF<br/>[FR] INHIBITEURS TRICYCLIQUES DE L'INTERACTION PROTÉINE-PROTÉINE DU DOMAINE BTB DE BCL6 ET UTILISATIONS ASSOCIÉES
  申请人：ONTARIO INSTITUTE FOR CANCER RES OICR

  公开号：WO2019119145A1

  公开（公告）日：2019-06-27

  The present application relates to compounds of Formula (I) or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, to compositions comprising these compounds or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, and various uses in the treatment of diseases, disorders or conditions that are treatable by inhibiting interactions with BCL6 BTB, such as cancer.

  本申请涉及式(I)的化合物或其药用可接受的盐、溶剂化合物和/或前药，包括含有这些化合物或其药用可接受的盐、溶剂化合物和/或前药的组合物，以及在治疗可通过抑制与BCL6 BTB的相互作用可治疗的疾病、紊乱或状况中的各种用途，如癌症。
• Anthranilic diamides derivatives as potential ryanodine receptor modulators: Synthesis, biological evaluation and structure activity relationship
  作者：Jing-Bo Liu、Feng-Yun Li、Jing-Yue Dong、Yu-Xin Li、Xiu-Lan Zhang、Yuan-Hong Wang、Li-Xia Xiong、Zheng-Ming Li

  DOI：10.1016/j.bmc.2018.05.028

  日期：2018.7

  force were compared with chlorantraniliprole. In addition, 7o could affect the calcium homeostasis in the central neurons of the third larvae of oriental armyworm, which revealed that the ryanodine receptor is the potential target of 7o. The density functional theory (DFT) calculation results revealed the amide bridge, the benzene ring of anthraniloyl moiety and pyrazole ring might play an important

  设计，合成了一系列含有卤素，三氟甲基和氰基的新型邻氨基苯甲酰胺衍生物（7a–s），并通过熔点，1 H NMR，13 C NMR和元素分析对其进行了表征。生物活性表明，它们中的大多数对东方粘虫（Mythimna separata）和小菜蛾（Plutella xylostella）表现出中等至优异的活性。首先，的杀幼虫活性70对粘虫率为100％，为0.25的40％和0.1毫克的L -1，比得上标准氯虫苯甲酰胺（100％，0.25毫克的L的-1和20％，0.1毫克的L - 1）。更，对抗小菜蛾的7o在0.01 mg L -1时显示出90％的杀虫活性，优于四氯苯丙胺（45％，0.01 mg L -1）。将美国蟑螂（Periplaneta Americana）心脏跳动率（背血管）和收缩力的实验7o与绿头兰醇进行了比较。此外，7o可能会影响东方粘虫第三幼虫中枢神经元的钙稳态，这表明，ryanodine
• Synthesis of six-membered silacycles by borane-catalyzed double sila-Friedel–Crafts reaction
  作者：Yafang Dong、Masahiko Sakai、Kazuto Fuji、Kohei Sekine、Yoichiro Kuninobu

  DOI：10.3762/bjoc.16.39

  日期：——

  We have developed a catalytic synthetic method to prepare phenoxasilins. A borane-catalyzed double sila-Friedel–Crafts reaction between amino group-containing diaryl ethers and dihydrosilanes can be used to prepare a variety of phenoxasilin derivatives in good to excellent yields. The optimized reaction conditions were also applicable for diaryl thioethers to afford their corresponding six-membered

  我们已经开发了一种催化合成方法来制备苯那西林。含氨基的二芳基醚和二氢硅烷之间的硼烷催化的双硅烷-Friedel-Crafts反应可用于制备各种苯氧西林衍生物，并具有良好的产率。优化的反应条件也适用于二芳基硫醚，以提供其相应的六元硅环产物。代表性的双（二甲基氨基）苯恶沙林的克级合成及其氨基的转化也得到了证明。