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2-(2-苯并噻唑甲氧基)乙酸 | 99513-52-7

中文名称
2-(2-苯并噻唑甲氧基)乙酸
中文别名
2-(1,3-苯并噻唑-2-基甲氧基)乙酸
英文名称
benzothiazol-2-ylmethoxy-acetic acid
英文别名
Benzothiazol-2-ylmethoxy-essigsaeure;(1,3-Benzothiazol-2-ylmethoxy)acetic acid;2-(1,3-benzothiazol-2-ylmethoxy)acetic acid
2-(2-苯并噻唑甲氧基)乙酸化学式
CAS
99513-52-7
化学式
C10H9NO3S
mdl
MFCD00630273
分子量
223.252
InChiKey
RQFMQUWXKKGYMC-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    435.4±25.0 °C(Predicted)
  • 密度:
    1.425±0.06 g/cm3(Predicted)
  • 溶解度:
    31.7 [ug/mL]

计算性质

  • 辛醇/水分配系数(LogP):
    1.7
  • 重原子数:
    15
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.2
  • 拓扑面积:
    87.7
  • 氢给体数:
    1
  • 氢受体数:
    5

安全信息

  • 海关编码:
    2934200090

SDS

SDS:8bb79694c5c2ab0585ae947c8c79c8b4
查看
Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: (1,3-Benzothiazol-2-ylmethoxy)acetic acid
Synonyms:

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

Section 3. Composition/information on ingredients.
Ingredient name: (1,3-Benzothiazol-2-ylmethoxy)acetic acid
CAS number: 99513-52-7

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: C10H9NO3S
Molecular weight: 223.3

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, sulfur oxides.

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

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    盐酸2-(2-苯并噻唑甲氧基)乙酸 生成 benzothiazol-2-ylmethoxy-acetic acid methyl ester
    参考文献:
    名称:
    Babitschew; Derkatsch, Ukrainskij Khimicheskij Zhurnal, 1956, vol. 22, p. 208,211
    摘要:
    DOI:
  • 作为产物:
    描述:
    benzothiazol-2-ylmethoxy-acetic acid methyl ester 在 氢氧化钾 作用下, 生成 2-(2-苯并噻唑甲氧基)乙酸
    参考文献:
    名称:
    Subarowskii, Sb. Statei Obshch. Khim., 1953, p. 1096,1097
    摘要:
    DOI:
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文献信息

  • Babitschew; Derkatsch, Ukrainskij Khimicheskij Zhurnal, 1956, vol. 22, p. 208,211
    作者:Babitschew、Derkatsch
    DOI:——
    日期:——
  • Subarowskii, Sb. Statei Obshch. Khim., 1953, p. 1096,1097
    作者:Subarowskii
    DOI:——
    日期:——
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