5-溴-1,3-二氯-2-碘苯 | 62720-30-3

• 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-1,3-二氯-2-碘苯
• 英文名称: 5-bromo-1,3-dichloro-2-iodobenzene
• CAS: 62720-30-3
• 化学式: C₆H₂BrCl₂I
• 分子量: 351.796
• InChiKey: ZKNRQIMIXPBAGW-UHFFFAOYSA-N

物化性质

• 熔点：
  67.8-68.7 °C
• 沸点：
  314.2±37.0 °C(Predicted)
• 密度：
  2.320±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 5-Bromo-1,3-dichloro-2-iodobenzene
CAS-No. : 62720-30-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 4)
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Chronic aquatic toxicity (Category 4)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
H413 May cause long lasting harmful effects to aquatic life.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37 Wear suitable protective clothing and gloves.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C6H2BrCl2I
Molecular Weight : 351,79 g/mol
Component Concentration
5-Bromo-1,3-dichloro-2-iodobenzene
CAS-No. 62720-30-3 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen chloride gas, Hydrogen bromide gas, Hydrogen iodide
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 5,38
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-溴-1,3-二氯-2-碘苯 在 sodium methylate 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 生成 3,5-二氯-1-溴苯
  参考文献：
  名称：

  Bolton, Roger; Moore, Clive; Sandall, John P.B., Journal of the Chemical Society. Perkin transactions II, 1982, p. 1593 - 1598

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二氯苯胺 在 盐酸 、 溴 、 sodium nitrite 作用下， 以 水 为溶剂， 生成 5-溴-1,3-二氯-2-碘苯
  参考文献：
  名称：

  5-溴-1,3-二氯-2-碘苯中碳-卤素键的电化学还原裂解

  摘要：

  5-溴-1,3-二氯-2-碘苯中碳-卤素键的电化学还原遵循二次活化-驱动力关系，除了碳-氯键之一。已经使用伏安数据和卷积分析估计了传输系数随电极电势的变化。关于碳-卤素键还原的标准电势使用外层电子转移的马库斯理论进行了评估。

  DOI：

  10.1016/j.tet.2004.09.020

文献信息

• Catalyst component for olefin polymerization, catalyst for alpha-olefin polymerization and process for the production of alpha-olefin polymer
  申请人：Iwama Naoshi

  公开号：US20050070426A1

  公开（公告）日：2005-03-31

  To develop a catalyst component for olefin polymerization, a metallocene catalyst for olefin polymerization and a process for the production of an olefin polymer capable of producing an olefin polymer having a high molecular weight and a high melting point which can be extruded or injection-molded in a high yield and a novel transition metal compound to be used in these catalyst components a catalyst component for olefin polymerization is made of a transition metal compound represented by formula (I) defined in the specification; a metallocene catalyst for olefin polymerization comprises the catalyst component for olefin polymerization; and a process for the production of an olefin polymer is performed in the presence of the metallocene catalyst for olefin polymerization:

  为了开发一种烯烃聚合催化剂组分，一种烯烃聚合物的金属茂基催化剂以及一种能够产生高分子量和高熔点的烯烃聚合物，该聚合物可在高产率下挤出或注塑，并制备一种新的过渡金属化合物用于这些催化剂组分。烯烃聚合催化剂组分由规范中定义的式(I)所表示的过渡金属化合物制成；烯烃聚合的金属茂基催化剂包括烯烃聚合催化剂组分；在金属茂基催化剂的存在下进行烯烃聚合物的生产过程。
• Catalyst component for olefin polymerization, catalyst for α-olefin polymerization and process for the production of α-olefin polymer
  申请人：Japan Polypropylene Corporation

  公开号：US07189790B2

  公开（公告）日：2007-03-13

  To develop a catalyst component for olefin polymerization, a metallocene catalyst for olefin polymerization and a process for the production of an olefin polymer capable of producing an olefin polymer having a high molecular weight and a high melting point which can be extruded or injection-molded in a high yield and a novel transition metal compound to be used in these catalyst components a catalyst component for olefin polymerization is made of a transition metal compound represented by formula (I) shown below; a metallocene catalyst for olefin polymerization comprises the catalyst component for olefin polymerization; and a process for the production of an olefin polymer is performed in the presence of the metallocene catalyst for olefin polymerization:

  为了开发一种烯烃聚合的催化剂组分，一种用于烯烃聚合的金属茂催化剂，以及一种能够产生高分子量和高熔点的烯烃聚合物的生产方法，该聚合物可以高产量地挤出或注塑，并且一种新的过渡金属化合物用于这些催化剂组分。该烯烃聚合的催化剂组分由下式（I）所表示的过渡金属化合物制成；烯烃聚合的金属茂催化剂包括烯烃聚合的催化剂组分；在烯烃聚合的金属茂催化剂的存在下进行烯烃聚合物的生产过程。
• Catalyst for alpha-olefin polymerisation and process for the production of alpha-olefin polymer
  申请人：Japan Polypropylene Corporation

  公开号：EP1520863A1

  公开（公告）日：2005-04-06

  To develop a catalyst component for olefin polymerization, a metallocene catalyst for olefin polymerization and a process for the production of an olefin polymer capable of producing an olefin polymer having a high molecular weight and a high melting point which can be extruded or injection-molded in a high yield and a novel transition metal compound to be used in these catalyst components a catalyst component for olefin polymerization is made of a transition metal compound represented by formula (I) defined in the specification; a metallocene catalyst for olefin polymerization comprises the catalyst component for olefin polymerization; and a process for the production of an olefin polymer is performed in the presence of the metallocene catalyst for olefin polymerization:

  为了开发一种用于烯烃聚合的催化剂组分、一种用于烯烃聚合的茂金属催化剂和一种用于生产烯烃聚合物的工艺，该工艺能够生产具有高分子量和高熔点的烯烃聚合物，该聚合物可以高产率挤出或注塑成型，以及一种用于这些催化剂组分的新型过渡金属化合物，一种用于烯烃聚合的催化剂组分是由说明书中定义的式(I)代表的过渡金属化合物制成的；一种用于烯烃聚合的茂金属催化剂包括该用于烯烃聚合的催化剂组分；以及 在该用于烯烃聚合的茂金属催化剂存在下进行烯烃聚合物的生产工艺：
• 吡啶酮化合物及其制备方法和用途
  申请人：[en]OPEN SOURCE THERAPEUTICS;[zh]盛睿泽华医药科技（苏州）有限公司

  公开号：WO2024109919A1

  公开（公告）日：2024-05-30

  本申请涉及一类吡啶酮化合物、其制备方法及其用作PDE3A-SLFN12复合物诱导剂的用途。具体而言，本申请涉及一种如通式(I)所示的吡啶酮化合物、其立体异构体、溶剂合物及药学上可接受的盐或前药、其制备方法以及该类吡啶酮化合物或含有该类吡啶酮化合物的药物组合物在癌症治疗中的应用：其中通式(I)中各基团如说明书中所定义。
• Discovery of dimethyl pent-4-ynoic acid derivatives, as potent and orally bioavailable DGAT1 inhibitors that suppress body weight in diet-induced mouse obesity model
  作者：Tao Yu、Chengde Wu、NengYang Shih、Qi Li、Chichung Chan、He Pan、Dan Yao、Yan Pan、Wei Liang、Liang Shen、Hui Zhao、Jian Li、Shuhui Chen

  DOI：10.1016/j.bmcl.2018.04.051

  日期：2018.6

  Diacylglycerol acyltransferase (DGAT) is expressed abundantly in intestine, liver, and adipose tissues. DGAT1 is the crucial and rate-limiting enzyme that mediates the final step in triacylglycerol (TAG) resynthesis during dietary fat absorption. However, too much triacylglycerol (TAG) reserve will lead to genetic obesity (Hubert et al., 2000). DGAT1 knockout mice could survive and displayed a reduction in the postprandial rise of plasma TG, and increased sensitivity of insulin and leptin. Here we report the discovery and characterization of a novel selective DGAT1 inhibitor 29 to potentially treat obesity. Compound 29 showed lipid lowering effect in mouse lipid tolerance test (LTT) and also reduced body weight in DIO mice without observable liver damage. (C) 2018 Elsevier Ltd. All rights reserved.