5-溴-2-羟基-3-硝基苯甲酸 | 10169-50-3

• 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-2-羟基-3-硝基苯甲酸
• 英文名称: 5-bromo-2-hydroxy-3-nitrobenzoic acid
• 英文别名: 5-bromo-3-nitro-salicylic acid；5-bromo-2-hydroxy-3-nitro-benzoic acid；5-Brom-2-hydroxy-3-nitro-benzoesaeure；5-Brom-3-nitro-salicylsaeure；5-bromo-3-nitrosalicylic acid
• CAS: 10169-50-3
• 化学式: C₇H₄BrNO₅
• mdl: MFCD00463872
• 分子量: 262.016
• InChiKey: JNYJGSJKQMVWRL-UHFFFAOYSA-N

物化性质

• 沸点：
  346.6±42.0 °C(Predicted)
• 密度：
  2.040±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 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：
  103
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2918290000

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 5-Bromo-2-hydroxy-3-nitrobenzoic acid
Synonyms:

---

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 5-Bromo-2-hydroxy-3-nitrobenzoic acid
CAS number: 10169-50-3

---

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: C7H4BrNO5
Molecular weight: 262.0

---

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 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：

  5-溴-2-羟基-3-硝基苯甲酸 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 35.0 ℃ 、500.01 kPa 条件下， 反应 5.0h， 以71.2%的产率得到3-氨基水杨酸
  参考文献：
  名称：

  3-氨基水杨酸的制备方法

  摘要：

  本发明涉及制备3-氨基水杨酸的新方法。该方法起始原料为水杨酸类化合物Ⅰ，通式：用硝化剂生成3-硝基水杨酸类化合物Ⅱ，通式：3-硝基水杨酸类化合物Ⅱ在有效量催化剂及供氢体存在下催化氢化还原硝基、脱卤氢解得3-氨基水杨酸。

  公开号：

  CN103992238B
• 作为产物：
  描述：

  5-溴水杨酸 在 硫酸 、 硝酸 作用下， 以 neat (no solvent) 为溶剂， 以82%的产率得到5-溴-2-羟基-3-硝基苯甲酸
  参考文献：
  名称：

  Small-molecules that covalently react with a human prolyl hydroxylase – towards activity modulation and substrate capture

  摘要：

  我们描述了共价结合的人类脯氨酸羟化酶结构域2（PHD2）活性调节剂，并进行了研究，以制定一种用于光捕获PHD2底物的策略。

  DOI：

  10.1039/c8cc07706a

文献信息

• Synthesis of 2-hydroxy-N,N-dimethyl-3-[[2-[1(R)-(5-methyl-2-furanyl)propyl]amino]-3,4-dioxo-1-cyclobuten-1-l]aminobenzamide
  申请人：Schering Corporation

  公开号：US20040209946A1

  公开（公告）日：2004-10-21

  Disclosed is a process for making the compound of formula I: 1 using the compounds of formulas II, Q, and XI or XII: 2 wherein A is selected from the group consisting of Br, Cl and I (with Br being preferred); and R represents (C 1 -C 10 )alkyl. Also disclosed are intermediate compounds that are made in the disclosed process.

  揭示了制备化合物I的过程： 使用化合物II、Q和XI或XII的公式： 其中A选自Br、Cl和I的组，其中Br为首选；R代表(C1-C10)烷基。还揭示了在所述过程中制备的中间化合物。
• SYNTHESIS OF 2-HYDROXY-N,N-DIMETHYL-3-[[2-[[1(R)-(5-METHYL-2-FURANYL)PROPYL]AMINO]-3,4-DIOXO-1-CYCLOBUTEN-1-YL]AMINO]BENZAMIDE
  申请人：Yin Jianguo

  公开号：US20090048458A1

  公开（公告）日：2009-02-19

  Disclosed is a process for making the compound of formula I: using the compounds of formulas II, Q, and XI or XII: wherein A is selected from the group consisting of Br, Cl and I (with Br being preferred); and R represents (C 1 -C 10 )alkyl. Also disclosed are intermediate compounds that are made in the disclosed process.

  本发明公开了一种制备式I化合物的方法，使用式II、Q和XI或XII的化合物：其中A从Br、Cl和I组成的群体中选择（首选Br）；R代表（C1-C10）烷基。本发明还公开了在所述方法中制备的中间体化合物。
• Synthesis of 2-Hydroxy-N,N-dimethyl-3-[[2-[[1(R)-(5-methyl-2-furanyl)propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]benzamide
  申请人：Schering Corporation

  公开号：US07910775B2

  公开（公告）日：2011-03-22

  Disclosed is a process for making the compound of formula I: using the compounds of formulas II, Q, and XI or XII: wherein A is selected from the group consisting of Br, Cl and I (with Br being preferred); and R represents (C1-C10)alkyl. Also disclosed are intermediate compounds that are made in the disclosed process.

  本发明公开了一种制备公式I化合物的方法：使用公式II、Q和XI或XII的化合物：其中A从Br、Cl和I组成的群体中选择（Br为首选）；R表示（C1-C10）烷基。本发明还公开了在所述方法中制备的中间化合物。
• Synthesis of 2-Hydroxy-N,N-Dimethyl-3-[[2-[1(r) - (5-Methyl-2-Furanyl) Propyl] -3, 4-Dioxo-1-Cyclobuten-1-Yl]amino] Benzamide
  申请人：Schering Corporation

  公开号：EP2168956A2

  公开（公告）日：2010-03-31

  Disclosed is a process for making a compound of the formula: comprising converting the compound of formula II to a compound of formula IV, wherein A is selected from the group consisting of Br, Cl and I.

  本发明公开了一种制造式化合物的工艺： 包括将式 II 的化合物 转化为式 IV 的化合物，其中 A 选自由 Br、Cl 和 I 组成的组。
• Synthesis of 2-hydroxy-N,N-dimethyl-3-[[2-(1(R)-(5-methyl-2-furany)propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]benzamide
  申请人：Yin Jianguo

  公开号：US20060205961A1

  公开（公告）日：2006-09-14

  Disclosed is a process for making the compound of formula I: using the compounds of formulas II, Q, and XI or XII: wherein A is selected from the group consisting of Br, Cl and I (with Br being preferred); and R represents (C 1 -C 10 )alkyl. Also disclosed are intermediate compounds that are made in the disclosed process.

  本发明公开了一种制造式 I 化合物的工艺： 使用式 II、Q 和 XI 或 XII 的化合物： 其中 A 选自 Br、Cl 和 I（优选 Br）组成的组；R 代表（C 1 -C 10 烷基）。还公开了在所公开的工艺中制成的中间体化合物。