2-氨基-3,5-二溴-6-氯苯甲酸 | 143769-25-9

• 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-氨基-3,5-二溴-6-氯苯甲酸
• 英文名称: 2-amino-6-chloro-3,5-dibromobenzoic acid
• 英文别名: 2-amino-3,5-dibromo-6-chlorobenzoic acid
• CAS: 143769-25-9
• 化学式: C₇H₄Br₂ClNO₂
• 分子量: 329.375
• InChiKey: YCVONUPUCAHKJM-UHFFFAOYSA-N

物化性质

• 熔点：
  212-215

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2922499990

SDS

Name:	2-Amino-3 5-dibromo-6-chlorobenzoic acid 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	143769-25-9

Section 1 - Chemical Product MSDS Name:2-Amino-3 5-dibromo-6-chlorobenzoic acid 97% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
143769-25-9	2-Amino-3,5-dibromo-6-chlorobenzoic ac	97%	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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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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. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Avoid contact with skin and eyes. Keep container tightly closed.
Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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# 143769-25-9: 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 - white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 212 - 215 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H4Br2ClNO2
Molecular Weight: 329.38

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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.
Incompatibilities with Other Materials:
Oxidizing agents, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 143769-25-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-3,5-dibromo-6-chlorobenzoic acid - 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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 143769-25-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 143769-25-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 143769-25-9 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-氨基-3,5-二溴-6-氯苯甲酸 以 吡啶 为溶剂， 反应 28.5h， 生成 6,8-Dibromo-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-2-methylquinazolin-4-one
  参考文献：
  名称：

  具有潜在抗病毒和抗癌活性的5-氟-2-甲基-3-（2-三氟甲基-1,3,4-噻二唑-5-基）-4（3 H）-喹唑啉酮及相关化合物的合成†

  摘要：

  据报道，合成了十个新的1,3,4-噻二唑基-4（3 H）-喹唑啉酮8-11、13、17和20-23。化合物8-11是通过将5-氟-2-甲基-3,1-苯并恶嗪-4-酮（3）与5-取代的2-氨基-1,3,4-噻二唑4-7缩合而制备的。通过将5-氟-2-甲基-3,1-苯并恶嗪-4-酮（3）与DL-α-氨基-ϵ-己内酰胺（12）缩合获得化合物13。通过6-溴-2-甲基-3,1-苯并恶嗪-4-酮（16）和2-氨基-5-叔丁基-1,3,4-噻二唑（5）的缩合来合成化合物17。化合物20-23是通过将5-氯-6,8-二溴-2-甲基-3,1-苯并恶嗪-4-酮（19）与5-取代的2-氨基-1,3,4-噻二唑4-7缩合而获得的，分别。通过将适当的邻氨基苯甲酸1，15和18与乙酸酐（2）回流，以高收率获得了取代的3，1-苯并恶嗪-4-酮3、16和19 。

  DOI：

  10.1002/jhet.5570290411

文献信息

• Reversing Reactivity: Stereoselective Desulfurative 1,2-<i>trans</i>-<i>O</i>-Glycosylation of Anomeric Thiosugars with Carboxylic Acids under Copper or Cobalt Catalysis
  作者：Nedjwa Bennai、Amélie Chabrier、Maha I. Fatthalla、Christine Tran、Expédite Yen-Pon、Mohamed Belkadi、Mouâd Alami、Laurence Grimaud、Samir Messaoudi

  DOI：10.1021/acs.joc.0c00766

  日期：2020.7.17

  We have discovered a new mode of reactivity of 1-thiosugars in the presence of Cu(II) or Co(II) for a stereoselective O-glycosylation reaction. The process involves the use of a catalytic amount of Cu(acac)2 or Co(acac)2 and Ag2CO3 as an oxidant in α,α,α-trifluorotoluene. Moreover, this protocol turned out to have a broad scope, allowing the preparation of a wide range of complex substituted O-glycoside

  我们已经发现在立体选择性O-糖基化反应的Cu（II）或Co（II）存在下1-硫糖的反应性的新模式。该方法涉及使用催化量的Cu（acac）2或Co（acac）2和Ag 2 CO 3作为α，α，α-三氟甲苯中的氧化剂。而且，该方案证明具有广泛的范围，允许以良好的至优异的产率和排他的1,2-反式选择性制备多种复杂的取代的O-糖苷酯。还证明了通过这种方法对药物进行后期修饰。为了更深入地了解反应机理，进行了循环伏安法。
• Parkanyi Cyril, Yuan Hui Liang, Stroemberg Bo H. E., Evenzahav Ariella, J. Heterocycl. Chem., 29 (1992) N 4, S 749-753
  作者：Parkanyi Cyril, Yuan Hui Liang, Stroemberg Bo H. E., Evenzahav Ariella

  DOI：——

  日期：——
• Use of a compound of formula 1 for making a pharmaceutical composition
  申请人：Biondi Miguel Ricardo

  公开号：US20070032474A1

  公开（公告）日：2007-02-08

  The invention relates to a compound of formula I or pharmaceutically acceptable salts thereof. The invention further relates to methods of use of this compound.
• Synthesis of 5-fluoro-2-methyl-3-(2-trifluoromethyl-1,3,4-thiadiazol-5-yl)-4(3<i>H</i>)-quinazolinone and related compounds with potential antiviral and anticancer activity
  作者：Cyril Párkányi、Hui Liang Yuan、Bo H. E. Strömberg、Ariella Evenzahav

  DOI：10.1002/jhet.5570290411

  日期：1992.7

  The synthesis of ten new substituted 1,3,4-thiadiazolyl-4(3H)-quinazolinones 8–11, 13, 17, and 20–23 is reported. Compounds 8–11 were prepared by condensation of 5-fluoro-2-methyl-3,1-benzoxazin-4-one (3) and 5-substituted 2-amino-1,3,4-thiadiazoles 4–7. Compound 13 was obtained by condensation of 5-fluoro-2-methyl-3,1-benzoxazin-4-one (3) with DL-α-amino-ϵ-caprolactam (12). Compound 17 was synthesized

  据报道，合成了十个新的1,3,4-噻二唑基-4（3 H）-喹唑啉酮8-11、13、17和20-23。化合物8-11是通过将5-氟-2-甲基-3,1-苯并恶嗪-4-酮（3）与5-取代的2-氨基-1,3,4-噻二唑4-7缩合而制备的。通过将5-氟-2-甲基-3,1-苯并恶嗪-4-酮（3）与DL-α-氨基-ϵ-己内酰胺（12）缩合获得化合物13。通过6-溴-2-甲基-3,1-苯并恶嗪-4-酮（16）和2-氨基-5-叔丁基-1,3,4-噻二唑（5）的缩合来合成化合物17。化合物20-23是通过将5-氯-6,8-二溴-2-甲基-3,1-苯并恶嗪-4-酮（19）与5-取代的2-氨基-1,3,4-噻二唑4-7缩合而获得的，分别。通过将适当的邻氨基苯甲酸1，15和18与乙酸酐（2）回流，以高收率获得了取代的3，1-苯并恶嗪-4-酮3、16和19 。