4-氯-2,6-甲基溴代苯 | 103724-99-8

• 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: 4-氯-2,6-甲基溴代苯
• 中文别名: 1-溴-4-氯-2,6-二甲基苯；4-氯-2,6-二甲基溴苯
• 英文名称: 2-bromo-5-chloro-1,3-dimethylbenzene
• 英文别名: 4-chloro-2,6-dimethylbromobenzene；2-bromo-5-chloro-m-xylene
• CAS: 103724-99-8
• 化学式: C₈H₈BrCl
• mdl: MFCD07780649
• 分子量: 219.509
• InChiKey: CFMPIQSLDJXNPD-UHFFFAOYSA-N

物化性质

• 熔点：
  22-23℃
• 沸点：
  243.5℃
• 密度：
  1.462
• 闪点：
  119.9℃

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 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

• 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：
  室温且干燥

SDS

Material Safety Data Sheet

---

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

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-Bromo-5-chloro-1,3-dimethylbenzene
CAS number: 103724-99-8

---

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.

---

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.

---

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.

---

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.
Storage:

---

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.

---

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: C8H8BrCl
Molecular weight: 219.5

---

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

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氯-2,6-甲基溴代苯 在 potassium permanganate 、 水 作用下， 以 叔丁醇 为溶剂， 反应 22.0h， 以75%的产率得到2‐bromo‐5‐chlorobenzene‐1,3‐dicarboxylic acid
  参考文献：
  名称：

  高价溴(III) 化合物的电化学生成

  摘要：

  与高价碘（III）化合物形成鲜明对比的是，等电子溴（III）对应物迄今为止很少被研究。这一知识差距主要归因于λ 3 -溴烷的反应性难以控制，以及从高毒性和腐蚀性的BrF 3前体中制备它们具有挑战性。在这种情况下，我们提出了一种直接且可扩展的方法，通过对具有两个配位六氟-2-羟基丙基取代基的母体芳基溴进行阳极氧化来制备螯合稳定的λ 3 -溴烷。通过电化学方法合成了一系列对位取代的λ 3 -溴烷，其氧化还原电位范围相对于Ag/AgNO 3为1.86 V至2.60 V。我们证明，通过添加路易斯酸或布朗斯台德酸可以释放实验室稳定的溴（III）物质的固有反应性。 λ 3 -溴烷活化的合成效用通过氧化CC、CN和CO键形成反应来例证。

  DOI：

  10.1002/anie.202104677
• 作为产物：
  描述：

  4-氯-2,6-二甲基苯胺 在 氢溴酸 、 sodium nitrite 、 ferrous(II) sulfate heptahydrate 作用下， 以 水 为溶剂， 反应 2.09h， 以91%的产率得到4-氯-2,6-甲基溴代苯
  参考文献：
  名称：

  Process for Preparing Chloro-and Bromoaromatics

  摘要：

  本发明涉及一种制备公式（II）的氯代或溴代芳烃的新工艺，该工艺通过在水合盐酸或水合氢溴酸存在下，使用硝酸钠或硝酸钾对公式（I）进行重氮化，然后与铁(II)或铁(III)化合物反应，可选地在额外的氯化氢或溴化氢或碱金属或碱土金属氯化物或溴化物的存在下进行。

  公开号：

  US20100234652A1

文献信息

• [EN] SUBSTITUTED PYRAZOLE AND PYRROLE COMPOUNDS AND METHODS FOR USING THEM FOR INHIBITION OF INITIATION OF TRANSLATION AND TREATMENT OF DISEASES AND DISORDERS RELATING THERETO<br/>[FR] COMPOSÉS PYRAZOLE ET PYRROLE SUBSTITUÉS ET PROCÉDÉS D'UTILISATION DE CES DERNIERS POUR L'INHIBITION DE L'INITIATION DE LA TRADUCTION ET LE TRAITEMENT DE MALADIES ET DE TROUBLES ASSOCIÉS À CETTE DERNIÈRE
  申请人：BANTAM PHARMACEUTICAL LLC

  公开号：WO2016196644A1

  公开（公告）日：2016-12-08

  Disclosed are pyrazole compounds, as well as pharmaceutical compositions and methods of use thereof. One embodiment is a compound having the structure (I) and pharmaceutically acceptable salts and /V-oxides thereof, wherein X1, X2, Z1, Z2, the ring system denoted by "a", R1, A1A, L1B, A1B, L1A, L2, Q, L3, R3, A4A, L4B, A4B, L4A, R4, L5, and R5 are as described herein. In certain embodiments, compounds disclosed herein disrupt the elF4E/eiF4G interaction, and can be used to treat hyperproliferative disorder, a neurological disease or disorder, or autism.

  揭示了吡唑化合物，以及其药物组合物和使用方法。其中一种实施例是具有结构（I）及其药用可接受的盐和/或氧化物，其中X1、X2、Z1、Z2、由“a”表示的环系统、R1、A1A、L1B、A1B、L1A、L2、Q、L3、R3、A4A、L4B、A4B、L4A、R4、L5和R5如本文所述。在某些实施例中，本文所披露的化合物破坏elF4E/eiF4G相互作用，并可用于治疗过度增殖性疾病、神经系统疾病或障碍，或自闭症。
• 含ホウ素縮合環化合物の製造方法
  申请人：住友化学株式会社

  公开号：JP2021020877A

  公开（公告）日：2021-02-18

  【課題】含ホウ素縮合環化合物の新規な製造方法を提供すること。【解決手段】下記式で表される反応などによる含ホウ素縮合環化合物の製造方法。【選択図】なし

  【课题】提供含有砜素缩合环化合物的新制造方法。【解决手段】通过下列式所示的反应等来制造含有砜素缩合环化合物的方法。【选择图】无
• [EN] CYCLIC DIONES AS HERBICIDAL COMPOUNDS<br/>[FR] DIONES CYCLIQUES EN TANT QUE COMPOSÉS HERBICIDES
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：WO2021018834A1

  公开（公告）日：2021-02-04

  The present invention relates to compounds of Formula (I), wherein R1, R2, R3, R4x, R4y, m, n and G are as defined herein. The invention further relates to herbicidal compositions which comprise a compound of Formula (I), to their use for controlling weeds, in particular in crops of useful plants.

  本发明涉及式（I）的化合物，其中R1、R2、R3、R4x、R4y、m、n和G的定义如本文所述。该发明还涉及包含式（I）化合物的除草剂组合物，以及它们在控制杂草方面的用途，特别是在有用植物作物中的用途。
• PROCESS FOR PREPARING 2,6-DIALKYLPHENYLACETIC ACIDS
  申请人：Bayer Aktiengesellschaft

  公开号：US20210403406A1

  公开（公告）日：2021-12-30

  The invention relates to a multi-stage process for preparing 2,6-dialkylphenylacetic acids of the general formula (I) by reacting 2,6-dialkylbromobenzenes with (1) magnesium, (2) a formamide, (3) an acid, (4) hydrogenation of the benzaldehyde obtained, (5) activation of the benzyl alcohol obtained, (6) cyanation of the activated benzyl alcohol and (7) hydrolysis of the nitrile obtained.

  该发明涉及一种多阶段工艺，用于通过将2,6-二烷基溴苯与（1）镁，（2）甲酰胺，（3）酸，（4）氢化所得的苯甲醛，（5）激活所得的苄醇，（6）活化苄醇的氰化和（7）水解所得的腈来制备通式（I）的2,6-二烷基苯乙酸。
• Stabilisation of 2,6‐Diarylpyridinium Cation by Through‐Space Polar–π Interactions
  作者：Joan Simó Padial、René de Gelder、Célia Fonseca Guerra、F. Matthias Bickelhaupt、Jasmin Mecinović

  DOI：10.1002/chem.201304462

  日期：2014.5.19

  The through‐space polar–π interactions between pyridinium ion and the adjacent aromatic rings in 2,6‐diarylpyridines affect the pKa values. Hammett analysis illustrates that the basicity of pyridines correlates well with the sigma values of the substituents at the para position of the flanking aryl rings.

  吡啶鎓离子与2,6-二芳基吡啶中的相邻芳环之间的全空间极性-π相互作用会影响p K a 值。Hammett分析表明，吡啶的碱性与 芳基侧翼对位的取代基的sigma值具有很好的相关性。

表征谱图