5,7-二硝基-2,3-二氢苯并呋喃 | 84944-77-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 中文名称: 5,7-二硝基-2,3-二氢苯并呋喃
• 英文名称: 5,7-dinitro-2,3-dihydro-benzofuran
• 英文别名: 2,3-dihydro-5,7-dinitrobenzofuran；5,7-Dinitro-2,3-dihydrobenzofuran；5,7-dinitro-2,3-dihydro-1-benzofuran
• CAS: 84944-77-4
• 化学式: C₈H₆N₂O₅
• mdl: MFCD09258661
• 分子量: 210.146
• InChiKey: NDLMVUTUPSDFML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2932999099

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5,7-Dinitro-2,3-dihydrobenzofuran
Synonyms:

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

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Section 3. Composition/information on ingredients.
Ingredient name: 5,7-Dinitro-2,3-dihydrobenzofuran
CAS number: 84944-77-4

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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.

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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.

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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.

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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:

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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.

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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: C8H6N2O5
Molecular weight: 210.1

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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.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5,7-二硝基-2,3-二氢苯并呋喃 以 水 、 C.I.酸性橙108 为溶剂， 生成 2-[2-(β-hydroxyethyl)amino-3,5-dinitrophenyl]ethanol
  参考文献：
  名称：

  2,4-dinitro- or 2-amino-4-nitro- or

  摘要：

  本发明涉及一种化合物，其化学式为##STR1## 其中：X代表含有2到6个碳原子的支链或直链烷基基团，可以选择性地被一个或多个羟基基团取代；R代表氢原子，烷基或单或多羟基烷基基团或氨基烷基基团，其中氨基团可以是单或双烷基基团或单或多羟基烷基基团取代，氮原子也可以成为杂环体系的一部分，烷基基团含有1到4个碳原子；R'代表氢原子或C.sub.1到C.sub.4烷基基团；Y和Z代表硝基和/或--NHR.sub.1基团，R.sub.1和R，可以相同也可以不同，具有上述R的含义，但是当Y和Z相同时，它们必须表示硝基基团，以及含有可盐化胺基团的化合物的化妆品可接受的盐，以及其制备方法和在染色角蛋白纤维，特别是人类头发中的使用。

  公开号：

  US04727192A1
• 作为产物：
  描述：

  2,3-二氢苯并呋喃 在 硝酸 作用下， 生成 5,7-二硝基-2,3-二氢苯并呋喃
  参考文献：
  名称：

  Chatelus, Annales de Chimie (Cachan, France), 1949, vol. <12> 4, p. 505,526

  摘要：

  DOI：

文献信息

• New 2,4-dinitro- or 2-amino-4-nitro- or
  申请人：L'Oreal

  公开号：US04888445A1

  公开（公告）日：1989-12-19

  The invention relates to a compound of formula ##STR1## in which: X denotes a branched or unbranched alkylene radical containing 2 to 6 carbon atoms, optionally being able to be substituted with one or more hydroxyl radicals; R denotes a hydrogen atom, an alkyl or a mono- or polyhydroxyalkyl radical or an aminoalkyl radical in which the amine group can be mono- or disubstituted with an alkyl radical or with a mono- or polyhydroxyalkyl radical, the nitrogen atom also being able to form part of a heterocyclic system and the alkyl radicals containing 1 to 4 carbon atoms; R' denotes a hydrogen atom or a C.sub.1 to C.sub.4 alkyl radical; Y and Z denote a nitro and/or --NHR.sub.1 radical, R.sub.1 and R, which may be identical or different, having the meanings given above for R, with the proviso that when Y and Z are identical, they necessarily denote nitro radicals, and the cosmetically acceptable salts of the compounds containing a salifiable amine group, and also the process for preparing it and its use in dyeing keratinous fibres, and especially human hair.

  本发明涉及一种式为##STR1##的化合物，其中：X表示含有2到6个碳原子的支链或直链烷基，可以选择性地用一个或多个羟基基团替代；R表示氢原子、烷基或单烷基或多羟基烷基基团或胺基烷基基团，其中胺基可以是单取代或双取代的烷基基团或单烷基或多羟基烷基基团，氮原子也可以成为杂环系统的一部分，烷基基团含有1到4个碳原子；R'表示氢原子或C.sub.1到C.sub.4烷基基团；Y和Z表示硝基和/或--NHR.sub.1基团，R.sub.1和R，可以相同也可以不同，具有上述R的含义，但是当Y和Z相同时，它们必须表示硝基基团；这些化合物的可接受的盐，以及制备该化合物的方法和其在染色角蛋白质纤维，尤其是人类头发方面的用途。
• US4727192A
  申请人：——

  公开号：US4727192A

  公开（公告）日：1988-02-23
• US4888445A
  申请人：——

  公开号：US4888445A

  公开（公告）日：1989-12-19