4-乙氧基-2-氟苯胺 | 470702-37-5

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯胺系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-乙氧基-2-氟苯胺
• 英文名称: 4-ethoxy-2-fluoroaniline
• CAS: 470702-37-5
• 化学式: C₈H₁₀FNO
• mdl: MFCD01632191
• 分子量: 155.172
• InChiKey: HDPGMJKNRMBTHT-UHFFFAOYSA-N

物化性质

• 沸点：
  221.7±20.0 °C(Predicted)
• 密度：
  1.137±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  6.1
• 海关编码：
  2922299090
• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P322,P330,P332+P313,P337+P313,P340,P362,P363,P403,P403+P233,P405,P501
• 危险性描述：
  H302,H312,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Ethoxy-2-fluoroaniline
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H331: Toxic if inhaled
H302: Harmful if swallowed
H312: Harmful in contact with skin
Causes skin irritation
H315:
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Ethoxy-2-fluoroaniline
CAS number: 470702-37-5

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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, refrigerated.
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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H10FNO
Molecular weight: 155.2

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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 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
UN Number: UN2810 Class: 6.1 Packing group: III
Proper shipping name: TOXIC, LIQUIDS, ORGANIC, N.O.S. OR TOXIC, LIQUIDS, ORGANIC, N.O.S. INHALA-
TION HAZARD, PACKING GROUP I, ZONE A OR B (4-Ethoxy-2-fluoroaniline)

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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-乙氧基-2-氟苯胺 在 盐酸 、 sodium ethanolate 、 肼 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 45.33h， 生成 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one
  参考文献：
  名称：

  [EN] 2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZINE DERIVATIVES HAVING ACTIVITY AGAINST PAIN
  [FR] DÉRIVÉS DE 2-PHÉNYL -2 H-PYRAZOLO [3,4-D] PYRIDAZINE AYANT UNE ACTIVITÉ CONTRE LA DOULEUR

  摘要：

  本发明涉及具有药理活性的2-苯基-2H-吡唑并[3,4-d]吡啶嗪衍生物的公式（In），对α2δ亚基，特别是电压门控钙通道的a28-1亚基，具有药理活性，特别是具有对电压门控钙通道的a28亚基，特别是a28-1亚基，以及p-阿片受体的双重药理活性。本发明还涉及制备这种化合物的工艺、包含它们的药物组合物，以及它们在治疗中的使用，特别是用于疼痛治疗。

  公开号：

  WO2018100048A1
• 作为产物：
  描述：

  4-乙氧基-2-氟-1-硝基苯 、 一水合肼 在 钯 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以to afford 4-ethoxy-2-fluoro-phenyl amine as a pale yellow oil的产率得到4-乙氧基-2-氟苯胺
  参考文献：
  名称：

  Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds

  摘要：

  6H-吡咯并[3,4-d]吡嗪化合物及其作为电压门控钙通道（VGCC）配体的应用方法，可用于治疗神经病理性疼痛和精神和情绪障碍，例如精神分裂症、焦虑、抑郁、恐慌和躁症，以及治疗疼痛、帕金森氏病、认知功能障碍、癫痫、昼夜节律紊乱、药物成瘾、药物滥用、药物戒断等。

  公开号：

  US07465730B2

文献信息

• IDO INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160289171A1

  公开（公告）日：2016-10-06

  There are disclosed compounds that modulate or inhibit the enzymatic activity of indoleamine 2,3-dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or inflammatory disorders utilizing the compounds of the invention.

  已披露的化合物可调节或抑制吲哌酮胺2,3-二氧化酶（IDO）的酶活性，含有该化合物的药物组合物以及利用本发明的化合物治疗增殖性疾病，如癌症、病毒感染和/或炎症性疾病的方法。
• Fused heterocyclic compounds useful as kinase modulators
  申请人：Vaccaro Wayne

  公开号：US20070078136A1

  公开（公告）日：2007-04-05

  Compounds having the formula (1), and enantiomers, and diastereomers, pharmaceutically-acceptable salts, thereof, are usefuil as kinase modulators, including MK2 modulation, wherein one of E and F is a nitrogen atom and the other of E and F is a carbon atom, Z is N or CR 3 , and R 1 , R 2 , R 3 , X and Y are as defined herein.

  具有化学式（1）的化合物，以及其对映体、非对映体、药用可接受的盐，可用作激酶调节剂，包括MK2调节，其中E和F中的一个是氮原子，另一个是碳原子，Z是N或CR3，R1、R2、R3、X和Y如本文所定义。
• Substituted hydantoins
  申请人：Chen Shaoqing

  公开号：US20070197617A1

  公开（公告）日：2007-08-23

  The present invention relates to compounds of the formula methods for the preparation thereof, and methods for their use. The compounds are useful in treating diseases characterized by the hyperactivity of MEK. Accordingly the compounds are useful in the treatment of diseases, such as cancer, cognitive and CNS disorders, and inflammatory/autoimmune diseases.

  本发明涉及公式化合物的方法，其制备方法以及它们的使用方法。这些化合物在治疗由MEK高活性特征的疾病中很有用。因此，这些化合物在治疗癌症、认知和中枢神经系统疾病以及炎症/自身免疫疾病等疾病中很有用。
• METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS
  申请人：Niu Huifeng

  公开号：US20080207563A1

  公开（公告）日：2008-08-28

  Disclosed are methods for synergistically inhibiting the proliferation of tumor cells by contacting the tumor cells with a MEK inhibitor compound and erlotinib, either sequentially or simultaneously. Also disclosed are methods for inhibiting the proliferation of tumor cells in a human, by administering to the human, sequentially or simultaneously, an amount of erlotinib and a MEK inhibitor compound, wherein the amounts are effective, in combination, to synergistically inhibit the proliferation of the tumor cells in the human.

  本文揭示了通过将肿瘤细胞与MEK抑制剂化合物和厄洛替尼接触，无论是顺序地还是同时地，协同抑制肿瘤细胞增殖的方法。还揭示了通过向人体逐步或同时施用厄洛替尼和MEK抑制剂化合物的方法，其中这些量在组合时对于协同抑制人体内肿瘤细胞增殖是有效的。
• [EN] (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN<br/>[FR] DÉRIVÉS D'(HÉTÉRO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE AYANT UNE ACTIVITÉ MULTIMODALE CONTRE LA DOULEUR
  申请人：ESTEVE PHARMACEUTICALS SA

  公开号：WO2018219927A1

  公开（公告）日：2018-12-06

  The present invention relates to (hetero)arylalkylamino-pyrazolopyridazine derivatives having dual pharmacological activity towards both the α2δ subunit, in particular the α2δ 1 subunit, of the voltage-gated calcium channel and the Noradrenaline transporter (NET), to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.

  本发明涉及具有对电压门控钙通道的α2δ亚基，特别是α2δ 1亚基，和去甲肾上腺素转运蛋白（NET）具有双重药理活性的（杂）芳基烷基氨基吡唑吡啶嘧啶衍生物，涉及制备这类化合物的方法，包括它们的药物组合物，以及它们在治疗中的应用，特别是用于疼痛治疗。