3-氨基-4-甲氧基苯磺酰基氟 | 498-74-8

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类硝化物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-氨基-4-甲氧基苯磺酰基氟
• 中文别名: 对甲氧基间胺酰氟；对硝基苯磺酰氯
• 英文名称: 3-Amino-4-methoxy benzene sulphonylfluoride
• 英文别名: 3-amino-4-methoxybenzenesulfonyl fluoride；4-methoxymetanilyl fluoride；3-Amino-4-methoxybenzenesulphonylfluoride；3-amino-4-methoxy-benzenesulfonyl fluoride；2-Amino-anisol-sulfonsaeure-(4)-fluorid；3-Amino-4-methoxy-benzolsulfonylfluorid
• CAS: 498-74-8
• 化学式: C₇H₈FNO₃S
• mdl: MFCD00007417
• 分子量: 205.21
• InChiKey: SESLQGPHIQXYGF-UHFFFAOYSA-N

物化性质

• 熔点：
  60-65 °C
• 沸点：
  324.4±32.0 °C(Predicted)
• 密度：
  1.3608 (estimate)
• 暴露限值：
  ACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3
• 稳定性/保质期：

  按规格使用和贮存，不会发生分解，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  77.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  8
• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2922299090
• 危险品运输编号：
  3261
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P260,P264,P280,P301+P310+P330+P331,P303+P361+P353+P310,P304+P340+P310,P305+P351+P338+P310,P363,P405,P501
• 危险性描述：
  H314

SDS

Name:	4-Methoxymetanilyl Fluoride 97% Material Safety Data Sheet
Synonym:	None known
CAS:	498-74-8

Section 1 - Chemical Product MSDS Name:4-Methoxymetanilyl Fluoride 97% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
498-74-8	4-Methoxymetanilyl Fluoride	97	207-870-2

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Corrosive.
Potential Health Effects
Eye:
Contact with eyes may cause severe irritation, and possible eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause severe irritation and possible burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause perforation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Exposure to fluoride compounds can result in systemic toxic effects on the heart, liver, and kidneys. It may also deplete calcium levels in the body leading to hypocalcemia and death.
Fluoride can reduce calcium levels leading to fatal hypocalcemia.
May cause systemic effects.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated.
Aspiration may lead to pulmonary edema. May cause systemic effects.
Can produce delayed pulmonary edema.
Chronic:
Chronic inhalation and ingestion may cause chronic fluoride poisoning (fluorosis) characterized by weight loss, weakness, anemia, brittle bones, and stiff joints. Effects may be delayed.
Chronic exposure to fluoride compounds may cause systemic toxicity.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

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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# 498-74-8: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 62.00 - 65.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H8FNO3S
Molecular Weight: 205.20

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 498-74-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Methoxymetanilyl Fluoride - 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: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 498-74-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 498-74-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 498-74-8 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

制备方法与用途

用途：用于制作染料和医药中间体。

反应信息

• 作为反应物：
  描述：

  3-氨基-4-甲氧基苯磺酰基氟 在 ammonium hydroxide 作用下， 以 水 为溶剂， 生成 3-氨基-4-甲氧基苯磺酰胺
  参考文献：
  名称：

  BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION

  摘要：

  本发明涉及双噻唑I及其治疗和预防用途，其中变量A，R 5 ，R 6 ，和R 7 在说明书中定义。治疗的和/或预防的疾病包括类风湿性关节炎。

  公开号：

  US20120129842A1
• 作为产物：
  描述：

  4-甲氧基苯磺酰氟 在 盐酸 、 tin 、 硫酸 、 硝酸 作用下， 生成 3-氨基-4-甲氧基苯磺酰基氟
  参考文献：
  名称：

  Steinkopf, Journal fur praktische Chemie (Leipzig 1954), 1927, vol. <2> 117, p. 21

  摘要：

  DOI：

文献信息

• Cell proliferation inhibitors
  申请人：Abbott Laboratories

  公开号：US06521658B1

  公开（公告）日：2003-02-18

  Compounds having formula (I) inhibit cellular proliferation. Processes for the preparation of the compounds, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds are disclosed.

  具有公式（I）的化合物可以抑制细胞增殖。公开了这些化合物的制备过程、含有这些化合物的药物组合物以及使用这些化合物的治疗方法。
• Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas
  申请人：Miller Scott

  公开号：US20080269265A1

  公开（公告）日：2008-10-30

  This invention relates to the use of a group of aryl ureas in treating raf mediated diseases, and pharmaceutical compositions for use in such therapy.

  这项发明涉及使用一组芳基脲类化合物治疗raf介导的疾病，以及用于该疗法的药物组合物。
• Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas
  申请人：BAYER CORPORATION

  公开号：US20040102636A1

  公开（公告）日：2004-05-27

  This invention relates to the use of a group of aryl ureas in treating cytokine mediated diseases and proteolytic enzyme mediated diseases, and pharmaceutical compositions for use in such therapy.

  这项发明涉及使用一组芳基脲类化合物治疗细胞因子介导的疾病和蛋白酶酶介导的疾病，以及用于该疗法的药物组合物。
• Inhibition of raf kinase using symmetrical and unsymmetrical substituted diphenyl ureas
  申请人：Bayer Corporation

  公开号：EP1449834A3

  公开（公告）日：2004-12-22

  This invention relates to the use of a group of aryl ureas in treating raf mediated diseases, and pharmaceutical compositions for use in such therapy.

  这项发明涉及使用一组芳基脲类化合物治疗raf介导的疾病，以及用于该疗法的药物组合物。
• Monoazo dyes which are free from water-solubilizing groups and which
  申请人：Zeneca Limited

  公开号：US05739299A1

  公开（公告）日：1998-04-14

  A process for coloring a synthetic textile material or fibre blend thereof which comprises applying to the synthetic textile material a compound or mixture thereof, which is free from water solubilizing groups, of Formula (1): A--N.dbd.N--D Formula (1) wherein A and D each independently is an optionally substituted heterocyclic or carbocyclic group and at least one of A or D carries directly at least one --SO.sub.2 F group or carries a substituent to which at least one --SO.sub.2 F group is attached except for 4-(4-fluorosulphonylphenylazo)-N,N-dimethylaniline, provided that one of A or D is not 3,5-difluorosulphonylthien-2-yl, optionally substituted 1-phenyl-pyrazol-4-yl-5-one or ##STR1## or that one of A or D does not carry an --NCH.sub.2 CH(OH)CH.sub.2 Cl, --NCOCH.sub.2 Cl or --NCH.sub.2 CH.sub.2 SO.sub.2 F substituent. The presence of one or more --SO.sub.2 F groups in a dye molecule generally improves the properties of that dye and confers surprisingly good wet fastness and light fastness properties.

  一种用于给合成纺织材料或其纤维混合物着色的方法，包括向合成纺织材料施加一个不含水溶解基团的化合物或其混合物，其化学式为(1)：A--N.dbd.N--D 化学式(1)其中A和D各自独立地是一个可选择地取代的杂环或碳环基团，且A或D中至少一个直接携带至少一个--SO.sub.2 F基团，或携带一个取代基，至少一个--SO.sub.2 F基团附着在该取代基上，但不包括4-(4-氟磺酰基苯基偶氮)-N,N-二甲基苯胺，条件是A或D中的一个不是3,5-二氟磺酰基噻吩-2-基，可选择地取代的1-苯基吡唑-4-基-5-酮或##STR1##，或者A或D中的一个不携带--NCH.sub.2 CH(OH)CH.sub.2 Cl，--NCOCH.sub.2 Cl或--NCH.sub.2 CH.sub.2 SO.sub.2 F取代基。染料分子中存在一个或多个--SO.sub.2 F基团通常会改善该染料的性能，并赋予出乎意料的良好湿度牢度和光牢度性能。