4-氟-2-甲氧基苯胺盐酸盐 | 178671-97-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-氟-2-甲氧基苯胺盐酸盐
• 英文名称: 2-methoxy-4-fluoroaniline hydrochloride
• 英文别名: 4-Fluoro-2-methoxyaniline hydrochloride；4-fluoro-2-methoxyaniline;hydrochloride
• CAS: 178671-97-1
• 化学式: C₇H₈FNO*ClH
• 分子量: 177.606
• InChiKey: MHQFRPFBJOEPGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.84
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.2
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2922299090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  | 室温，惰性气体 |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Fluoro-2-methoxyaniline, HCl
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: 4-Fluoro-2-methoxyaniline, HCl
CAS number: 178671-97-1

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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: C7H9ClFNO
Molecular weight: 177.6

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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, hydrogen chloride, hydrogen fluoride.

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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：

  4-氟-2-甲氧基苯胺盐酸盐 、 二(2-氯乙基)胺盐酸盐 在 p-TosOH 作用下， 以 甲醇 、 二氯甲烷 、 氯苯 为溶剂， 以25%的产率得到1-(4-氟-2-甲氧基苯基)哌嗪
  参考文献：
  名称：

  Benzothiophene derivatives and corresponding use and composition

  摘要：

  苯并噻吩衍生物化合物及其对应的用途和组合物；这些化合物符合以下式（I）： 其中 Z 为：—CO—，—CH(OR6)—，—C(NOR7)—；R1 为：H，C1-C6 烷基，卤素，或—OR8；R2 和 R3 为：H，烷基，卤素，—OR8，硝基，氰基，NR9R10；—COR8；CO2R8；—SO2NR9R10；—SO2R8；—SR8；—CONR9R10；R4 和 R5 为：H，烷基，卤素，卤代烷基，—OR8，硝基，NR9R10；—COR8；CO2R8；—SO2NR9R10；—SO2R8；SR8，氰基；—CONR9R10 或 R4 和 R5 形成苯环；R6 为：H，烷基，CO2R8，—C(O)NR9R10，萘基或苯基；R7 为：H 或烷基；R8 为 H，C1-C6 烷基或苯基；R9 和 R10 为：H，烷基或苯基，或 R9 和 R10 形成 5 或 6 个成员的环。这些化合物对于焦虑或抑郁症的治疗是有效的。

  公开号：

  US06262056B1

文献信息

• COMPOUNDS DERIVED FROM THOPHENE AND BENZOTHIOPHENE, AND RELATED UTILISATION AND COMPOSITION
  申请人：VITA-INVEST, S.A.

  公开号：EP1008594A1

  公开（公告）日：2000-06-14

  The compounds are of the general formula (I): where Z is: -CO-, -CH(OR6)-, -C(NOR7)-; R1 is: H, C1-C6 alkyl, halogen, or - OR12; R2 and R3 are: H, alkyl, halogen, nitro or -OR12, or R2 and R3 together are -C(R8) = C(R9)- C(R10) = C(R11)-; R4 and R5 are: H, alkyl, halogen, haloalkyl, -OR12, nitro, NR13R14; -COR12; CO2R12; -SO2NR13R14; -SO2R12; SR12, cyano; -CONR13R14 or R4 and R5 form a benzene ring; R6 is: H, alkyl, CO2R12, -C(O)NR13R14, naphthyl or phenyl; R7 is: H or alkyl; R8, R9, R10 and R11 are H, alkyl halogen, OR12, nitro, cyano, NR13R14, -COR12, CO2R12; - SO2NR13R14; -SO2R12; SR12, -CONR13R14; R12 is H, C1-C6 alkyl or phenyl; and R13 and R14 are H, alkyl or phenyl or R13 and R14 form a 5- or 6-membered ring. These compounds are effective for the treatment of anxiety or depression.

  这些化合物的通式为(I)： 其中 Z 为：-CO-、-CH(OR6)-、-C(NOR7)-； R1 为H、C1-C6 烷基、卤素或-OR12； R2 和 R3 是：H、烷基、卤素、硝基或-OR12，或者 R2 和 R3 合在一起是-C(R8) = C(R9)- C(R10) = C(R11)-；R4 和 R5 是：H、烷基、卤素、卤代烷基、-OR12、硝基、NR13R14；-COR12；CO2R12；-SO2NR13R14；-SO2R12；SR12、氰基；-CONR13R14 或 R4 和 R5 形成一个苯环；R6 是：R6是：H、烷基、CO2R12、-C(O)NR13R14、萘基或苯基； R7是：H或烷基：H或烷基；R8、R9、R10和R11是H、卤素烷基、OR12、硝基、氰基、NR13R14、-COR12、CO2R12；-SO2NR13R14；-SO2R12；SR12、-CONR13R14；R12是H、C1-C6烷基或苯基；R13和R14是H、烷基或苯基或R13和R14形成5或6元环。这些化合物可有效治疗焦虑症或抑郁症。
• US6262056B1
  申请人：——

  公开号：US6262056B1

  公开（公告）日：2001-07-17
• Benzothiophene derivatives and corresponding use and composition
  申请人：Vita-Invest, SA

  公开号：US06262056B1

  公开（公告）日：2001-07-17

  Benzothiophene derivative compounds and corresponding use and composition; the compounds respond to formula (I): where Z is: —CO—, —CH(OR6)—, —C(NOR7)—; R1 is: H, C1-C6 alkyl, halogen, or —OR8; R2 and R3 are: H, alkyl, halogen, —OR8, nitro, cyano, NR9R10; —COR8; CO2R8; —SO2NR9R10; —SO2R8; —SR8; —CONR9R10; R4 and R5 are: H, alkyl, halogen, haloalkyl, —OR8, nitro, NR9R10; —COR8; CO2R8; —SO2NR9R10; —SO2R8; SR8, cyano; —CONR9R10 or R4 and R5 form a benzene ring; R6 is: H, alkyl, CO2R8, —C(O)NR9R10, naphthyl or phenyl; R7 is: H or alkyl; R8 is H, C1-C6 alkyl or phenyl; R9 and R10 are: H, alkyl or phenyl or R9 and R10 form a 5- or 6-membered ring. These compounds are effective for the treatment of anxiety or depression.

  苯并噻吩衍生物化合物及其对应的用途和组合物；这些化合物符合以下式（I）： 其中 Z 为：—CO—，—CH(OR6)—，—C(NOR7)—；R1 为：H，C1-C6 烷基，卤素，或—OR8；R2 和 R3 为：H，烷基，卤素，—OR8，硝基，氰基，NR9R10；—COR8；CO2R8；—SO2NR9R10；—SO2R8；—SR8；—CONR9R10；R4 和 R5 为：H，烷基，卤素，卤代烷基，—OR8，硝基，NR9R10；—COR8；CO2R8；—SO2NR9R10；—SO2R8；SR8，氰基；—CONR9R10 或 R4 和 R5 形成苯环；R6 为：H，烷基，CO2R8，—C(O)NR9R10，萘基或苯基；R7 为：H 或烷基；R8 为 H，C1-C6 烷基或苯基；R9 和 R10 为：H，烷基或苯基，或 R9 和 R10 形成 5 或 6 个成员的环。这些化合物对于焦虑或抑郁症的治疗是有效的。