3-氯-5-氟苯胺 | 4863-91-6

• 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 - 苯和取代衍生物
• 中文名称: 3-氯-5-氟苯胺
• 中文别名: 3-氟-5-氯苯胺
• 英文名称: 3-chloro-5-fluoroaniline
• CAS: 4863-91-6
• 化学式: C₆H₅ClFN
• mdl: MFCD03407962
• 分子量: 145.564
• InChiKey: LPIFAHAICWJMRR-UHFFFAOYSA-N

物化性质

• 沸点：
  98C/19Torr
• 密度：
  1.45
• 稳定性/保质期：
  在常温常压下保持稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2921420090
• WGK Germany：
  3
• 危险品运输编号：
  UN 2810
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,H315,H319,H335
• 储存条件：
  常温、避光、存放在阴凉干燥处，并密封保存。

SDS

Name:	3-Chloro-5-fluoroaniline 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	4863-91-6

Section 1 - Chemical Product MSDS Name:3-Chloro-5-fluoroaniline 97% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4863-91-6	3-Chloro-5-fluoroaniline	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown colored blood.
Overexposure may cause methemoglobinemia.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation. May cause methemoglobinemia.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4863-91-6: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H5ClFN
Molecular Weight: 145.56

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4863-91-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Chloro-5-fluoroaniline - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: OXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: OXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: OXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 4863-91-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4863-91-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4863-91-6 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-氯-5-氟苯胺 在 sodium peroxoborate tetrahydrate 、 碳酸氢钠 、 一水合肼 作用下， 以 乙醇 、 溶剂黄146 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 50.0h， 生成 N-(3-chloro-5-fluoro-phenyl)-N-hydroxy-acetamide
  参考文献：
  名称：

  [EN] NOVEL PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE
  [FR] NOUVEAUX DÉRIVÉS DE PURINE ET UTILISATION DE CEUX-CI DANS LE TRAITEMENT D'UNE MALADIE

  摘要：

  这项发明涉及到式(I)的PI3K抑制剂，其中所有变量均如规范中定义的那样，涉及到它们的制备，它们的医疗用途，特别是它们在癌症和神经退行性疾病治疗中的用途，以及包含它们的药物。

  公开号：

  WO2013061305A1
• 作为产物：
  描述：

  3-氯氟苯 在 铁粉 、 氯化铵 作用下， 生成 3-氯-5-氟苯胺
  参考文献：
  名称：

  Kobrina,L.S.; Yakobson,G.G., Journal of general chemistry of the USSR, 1965, vol. 35, p. 2046 - 2052

  摘要：

  DOI：

文献信息

• CHROMENONE DERIVATIVES
  申请人：BARLAAM Bernard Christophe

  公开号：US20110098271A1

  公开（公告）日：2011-04-28

  The invention concerns chromenone derivatives of Formula I or a pharmaceutically-acceptable salts thereof, wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , n and R 9 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.

  这项发明涉及公式I的香豆素衍生物或其药用盐，其中R1、R2、R3、R4、R5、R6、R7、R8、n和R9中的每一个具有在描述中定义的任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用于治疗细胞增殖紊乱的药物的药物中的使用。
• ANDROGEN RECEPTOR MODULATING CARBOXAMIDES
  申请人：Törmakängas Olli

  公开号：US20140094474A1

  公开（公告）日：2014-04-03

  Compounds of formula (I) or (II) wherein R x , R z , R 9 , R 10 , R 14 , R 14 ′, R 15 , R 15 ′, A and B are as defined in the claims and pharmaceutically acceptable salts and esters thereof, are disclosed. The compounds possess utility as tissue-selective androgen receptor modulators (SARM) and are useful as medicaments in the treatment of prostate cancer and other AR dependent conditions and diseases where AR antagonism is desired.

  式(I)或(II)的化合物 其中R x ，R z ，R 9 ，R 10 ，R 14 ，R 14 ′，R 15 ，R 15 ′，A和B如权利要求中所定义，并且其药学上可接受的盐和酯已被披露。这些化合物具有作为组织选择性雄激素受体调节剂（SARM）的效用，并且在治疗前列腺癌和其他依赖于AR的疾病和病症中，需要AR拮抗作用时可用作药物。
• [EN] ANDROGEN RECEPTOR MODULATING CARBOXAMIDES<br/>[FR] CARBOXAMIDES MODULANT LES RÉCEPTEURS D'ANDROGÈNES
  申请人：ORION CORP

  公开号：WO2012143599A1

  公开（公告）日：2012-10-26

  Compounds of formula (I) wherein Rx, Rz, R9, R10, R14, R14', R15, R15', A and B are as defined in the claims and pharmaceutically acceptable salts and esters thereof, are disclosed. The compounds possess utility as tissue-selective androgen receptor modulators (SARM) and are particularly useful as medicaments in the treatment of prostate cancer and other AR dependent conditions and diseases where AR antagonism is desired.

  公式（I）中的化合物，其中Rx、Rz、R9、R10、R14、R14'、R15、R15'、A和B的定义如索赔中所述，并且其药学上可接受的盐和酯已被披露。这些化合物具有作为组织选择性雄激素受体调节剂（SARM）的效用，并且在治疗前列腺癌和其他依赖于雄激素受体的疾病和病症中特别有用，其中需要AR拮抗作用。
• [EN] BRUTON'S TYROSINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE TYROSINE KINASE DE BRUTON
  申请人：BIOGEN IDEC INC

  公开号：WO2011029046A1

  公开（公告）日：2011-03-10

  The present invention provides compounds useful as inhibitors of Btk, compositions thereof, and methods of using the same.

  本发明提供了用作Btk抑制剂的化合物、其组合物以及使用方法。
• [EN] CHROMENONE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY<br/>[FR] DÉRIVÉS DE CHROMÉNONE À ACTIVITÉ ANTITUMORALE
  申请人：ASTRAZENECA AB

  公开号：WO2011051704A1

  公开（公告）日：2011-05-05

  The invention concerns chromenone derivatives of Formula (I) or a pharmaceutically-acceptable salts thereof, wherein each of R1, R2, R3, R4, R5, R6, R7, R8, n and R9 has any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the treatment of cell proliferative disorders.

  这项发明涉及公式（I）的香豆素衍生物或其药用盐，其中R1、R2、R3、R4、R5、R6、R7、R8、n和R9中的每一个具有在描述中先前定义的任何含义；它们的制备方法，含有它们的药物组合物以及它们在制造用于治疗细胞增殖紊乱的药物的药物中的使用。