5-溴-2-碘间二甲苯 | 206559-43-5

• 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: 5-溴-2-碘间二甲苯
• 中文别名: 2,6-二甲基-4-溴碘苯；5-溴-1,3-二甲基-2-碘苯；4-溴-2,6-二甲基碘苯；2-碘-5-溴间二甲苯；5-溴-2-碘-1,3-二甲基苯
• 英文名称: 5-bromo-2-iodo-1,3-dimethylbenzene
• 英文别名: 4-bromo-2,6-dimethyliodobenzene；5-bromo-2-iodo-m-xylene；4-bromo-2,6-dimethyl-1-iodobenzene；1-bromo-3,5-dimethyl-4-iodobenzene；5-bromo-1,3-dimethyl-2-iodobenzene
• CAS: 206559-43-5
• 化学式: C₈H₈BrI
• 分子量: 310.96
• InChiKey: BSIRLLZFIVAHES-UHFFFAOYSA-N

物化性质

• 熔点：
  42 °C
• 沸点：
  282℃
• 密度：
  1.940
• 闪点：
  125℃

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2903999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  冷藏保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-iodo-1,3-dimethylbenzene
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 5-Bromo-2-iodo-1,3-dimethylbenzene
CAS number: 206559-43-5

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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.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
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.
Store in closed vessels, refrigerated.
Storage:

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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
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C8H8BrI
Molecular weight: 311.0

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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, hydrogen bromide, hydrogen Iodide.

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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
Non-harzardous for air and ground transportation.

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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：

  5-溴-2-碘间二甲苯 在 咪唑 、 sodium tetrahydroborate 、 正丁基锂 、 1,3-双(二苯基膦)丙烷 、 水 、 palladium diacetate 、 铜 、 三乙胺 、 三氟乙酸 、 calcium chloride 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 二氯甲烷 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， -78.0~80.0 ℃ 、172.37 kPa 条件下， 反应 12.25h， 生成 methyl 2-[(1-{bis[(tert-butoxy)carbonyl]amino}isoquinolin-6-yl)amino]-15,15-difluoro-4,17,20-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2. 1^6,10]henicosa-1(18),6,8,10(21),16,19-hexaene-7-carboxylate
  参考文献：
  名称：

  [EN] MACROCYCLIC FACTOR VIIA INHIBITORS
  [FR] INHIBITEURS MACROCYCLIQUES DU FACTEUR VIIA

  摘要：

  本发明提供了如规范中定义的Formula (I)的化合物，以及包含任何此类新化合物的组合物。这些化合物是Factor VIIa抑制剂，可用作药物。

  公开号：

  WO2013184734A1
• 作为产物：
  描述：

  2,6-二甲基苯胺 在 硫酸 、 溴 、 sodium nitrite 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.0h， 生成 5-溴-2-碘间二甲苯
  参考文献：
  名称：

  手性布朗斯台德酸催化异喹啉与α-（重氮甲基）膦酸酯和重氮乙酸酯的不对称酰基曼尼希反应。

  摘要：

  使用手性螺环磷酸作为催化剂，已经开发了异喹啉与α-（重氮甲基）膦酸酯和重氮乙酸酯的有效不对称酰基曼尼希反应。该反应允许构建一系列手性的1,2-二氢异喹啉，在C1位置带有叔立体中心，产率高达98％，ee高达99％。

  DOI：

  10.1039/d0cc03201h

文献信息

• Final-Stage Site-Selective Acylation for the Total Syntheses of Multifidosides A-C
  作者：Yoshihiro Ueda、Takumi Furuta、Takeo Kawabata

  DOI：10.1002/anie.201504729

  日期：2015.10.5

  The first total syntheses of multifidosides A–C have been achieved. The synthetic strategy is characterized by catalytic site‐selective acylation of unprotected glycoside precursors in the final stage of the synthesis. High functional‐group tolerance of the site‐selective acylation, promoted by an organocatalyst, enabled the conventionally difficult molecular transformation in a predictable and reliable

  首次实现了多元醇A–C的全部合成。合成策略的特点是在合成的最后阶段对未保护的糖苷前体进行催化位点选择性酰化。由有机催化剂促进的对位点选择性酰化反应的高官能团耐受性使常规困难的分子转化能够以可预测和可靠的方式进行。该策略的优点是避免了在总合成的最后阶段去除保护基期间发生不希望的副反应的风险。
• [EN] BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS<br/>[FR] PRO-FRAGMENTS BIORÉVERSIBLES POUR MÉDICAMENTS CONTENANT DE L'AZOTE ET DE L'HYDROXYLE
  申请人：BAIKANG SUZHOU CO LTD

  公开号：WO2015081891A1

  公开（公告）日：2015-06-11

  Disclosed are promoieties of the following formula which can be used to form prodrugs of nitrogen-containing or hydroxyl-containing drug or a pharmaceutically active agent: (I) and pharmaceutical compositions comprising the prodrugs.

  披露了以下公式的促销性质，它们可用于形成含有氮或羟基的药物或药物活性剂的的前药：(I)以及包含这些前药的药物组合物。
• [EN] HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS AND DERIVATIVES THEREOF<br/>[FR] COMPOSÉS DE 2-(PHÉNYL SUBSTITUÉ)-CYCLOPENTANE-1,3-DIONE PRÉSENTANT UNE ACTIVITÉ HERBICIDE, ET LEURS DÉRIVÉS
  申请人：SYNGENTA LTD

  公开号：WO2014170413A1

  公开（公告）日：2014-10-23

  The present invention relates to a compound of formula (I): wherein the substituents are as defined herein, and wherein the compound of formula (I) is optionally present as an agrochemically acceptable salt thereof. These compounds are thought to be suitable for use as herbicides. The invention therefore also relates to a method of controlling weeds, especially grassy monocotyledonous weeds, in crops of useful plants, comprising applying a compound of formula (I), or a herbicidal composition comprising such a compound, to the plants or to the locus thereof.

  本发明涉及一种化合物，其化学式为（I）：其中取代基如本文所定义，并且化合物（I）可以选择地以其农药可接受的盐的形式存在。这些化合物被认为适合用作除草剂。因此，本发明还涉及一种控制杂草的方法，特别是在有用植物的作物中控制禾本科杂草，包括将化合物（I）或包含这种化合物的除草剂组合物施用于植物或其生长地点。
• [EN] HERBICIDAL COMPOUNDS<br/>[FR] COMPOSÉS HERBICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2016062585A1

  公开（公告）日：2016-04-28

  The present invention relates to a compound of formula (I) wherein: wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11 and G are as defined herein; and wherein the compound of formula (I) is optionally present as an agrochemically acceptable salt thereof. These compounds are thought to be suitable for use as herbicides. The invention therefore also relates to a method of controlling weeds, especially grassy monocotyledonous weeds, in crops of useful plants, comprising applying a compound of formula (I), or a herbicidal composition comprising such a compound, to the plants or to the locus thereof.

  本发明涉及一种化合物，其化学式为（I），其中：其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11和G如本文所定义；以及其中化合物（I）可作为农药可接受的盐存在。据认为这些化合物适合用作除草剂。因此，本发明还涉及一种控制杂草的方法，特别是在有用植物的作物中控制禾本科杂草，包括将化合物（I）或含有这种化合物的除草剂组合物施用于植物或其生长地点。
• New FBPase inhibitors for diabetes
  申请人：Gubler Marcel

  公开号：US20070281979A1

  公开（公告）日：2007-12-06

  Compounds of formula as well as pharmaceutically acceptable salts and esters thereof, wherein R 1 to R 3 have the significance given in the application and which can be used in the form of pharmaceutical compositions.

  式的化合物，以及其药学上可接受的盐和酯，其中R1至R3具有申请中给定的含义，并可用于制成药物组合物。