2,4-二氟苯基-1-硫代甲酰胺 | 175276-92-3

• 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: 2,4-二氟苯基-1-硫代甲酰胺
• 中文别名: 2,4-二氟硫代苯甲酰胺
• 英文名称: 2,4-difluorothiobenzamide
• 英文别名: 2,4-difluorobenzenecarbothioamide
• CAS: 175276-92-3
• 化学式: C₇H₅F₂NS
• 分子量: 173.186
• InChiKey: MOHAZBCWHUCIEX-UHFFFAOYSA-N

物化性质

• 熔点：
  131 °C
• 沸点：
  233.9±50.0 °C(Predicted)
• 密度：
  1.391±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xn
• 安全说明：
  S22,S26,S36,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2930909090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险品运输编号：
  UN2811

SDS

Name:	2 4-Difluorobenzene-1-carbothioamide Material Safety Data Sheet
Synonym:	None know
CAS:	175276-92-3

Section 1 - Chemical Product MSDS Name:2 4-Difluorobenzene-1-carbothioamide Material Safety Data Sheet
Synonym:None know

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175276-92-3	2,4-Difluorobenzene-1-carbothioamide	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.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: 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.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions.

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Section 7 - HANDLING and STORAGE
Handling:
Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 175276-92-3: 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 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: Solid
Color: Dark brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 132 - 135 deg C
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: C7H5F2NS
Molecular Weight: 173.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, hydrogen fluoride gas, fluorine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175276-92-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4-Difluorobenzene-1-carbothioamide - 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: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
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 22 Do not breathe dust.
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# 175276-92-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175276-92-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175276-92-3 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：

  2,4-二氟苯基-1-硫代甲酰胺 生成 5-(2,4-Difluorophenyl)-3H-1,2,4-dithiazol-3-thione
  参考文献：
  名称：

  SULFUR TRANSFER REAGENTS FOR OLIGONUCLEOTIDE SYNTHESIS

  摘要：

  本文披露了N-甲酰胺基-5-氨基-3H-1,2,4-二硫代唑-3-硫酮、5-苯基-3H-1,2,4-二硫代唑-3-硫酮及其衍生物作为新型高效的硫转移试剂的用途。从这些试剂向含有P(III)原子的化合物（例如三苯基膦、5′-O-DMT-胸苷2-氰基乙基-(N,N-二异丙基)磷酰胺酯和5′-O-DMT-3′-O-左旋丙酰基二胸苷基2-氰基乙基磷酸酯）进行硫转移的研究，通过31P NMR和HPLC在溶液中进行。此外，还研究了这些化合物的硫转移在磷酰胺酯方法合成寡核苷酸磷硫酸酯的固相合成中的应用。在这个应用中，对于2′-脱氧寡核苷酸，硫转移反应的效率超过99.5%。这些新型硫化剂采用简单的化学方法以低成本合成。与许多已知的硫转移试剂（如1,2-苯并二硫代唑-3-酮-1,1-二氧化物（Beaucage试剂）和5-乙氧基-3H-1,2,4-二硫代唑-2-酮（EDIT））相比，本文披露的硫化试剂在溶液中具有高度稳定性，这提高了它们的实用和商业价值。

  公开号：

  US20110137021A1
• 作为产物：
  描述：

  2,4-二氟苯腈 在 magnesium(II) chloride hexahydrate 、 sodium hydrogen sulfide monohydrate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2,4-二氟苯基-1-硫代甲酰胺
  参考文献：
  名称：

  一些含有酰腙部分的新型苯基噻唑衍生物的设计、合成和抗真菌活性

  摘要：

  农作物真菌病害对全球农作物生产和质量构成严重威胁。开发新型高效杀菌剂是防治作物病害的重要措施。我们前期对天然产物噻孢菌素A的结构优化和生物活性研究发现，苯基噻唑是一种优异的抗真菌骨架。为了寻找新的杀菌剂，利用活性子结构原理设计合成了45种含有酰腙结构的苯基噻唑衍生物。拼接。除了化合物 E1、E14 和 E33 之外，45 种化合物中有 42 种是新化合物。它们的结构通过 1H NMR、13C NMR 和 HRMS 进行了结构表征。目标化合物在 25 μg/mL 浓度下对稻瘟病菌、山茶炭疽菌、玉米双极菌和核盘菌的抗真菌活性进行了评估。生物测定结果表明，大多数化合物在 25 μg/mL 浓度下对米霉和茶霉表现出优异的抗真菌活性。其中，化合物E4、E10、E14、E17、E23、E26和E27对米霉的抑制率超过80%，EC50值为1.66、2.01、2.26、1.45、1.50、1.29和2.65。

  DOI：

  10.3390/molecules28207084

文献信息

• Substituted 1,3-thiazole compounds, their production and use
  申请人：——

  公开号：US20040053973A1

  公开（公告）日：2004-03-18

  (1) A 1,3-thiazole compound of which the 5-position is substituted with a 4-pyridyl group having a substituent including no aromatic group or (2) a 1,3-thiazole compound of which the 5-position is substituted with a pyridyl group having at the position adjacent to a nitrogen atom of the pyridyl group a substituent including no aromatic group has an excellent p38 MAP kinase inhibitory activity.

  (1) 一种1,3-噻唑化合物，其5位被取代为含有一个取代基的4-吡啶基团，该取代基不包括芳香基，或者(2) 一种1,3-噻唑化合物，其5位被取代为一个吡啶基团，该吡啶基团的氮原子邻近位置有一个取代基，该取代基不包括芳香基，具有出色的p38 MAP激酶抑制活性。
• MEDICINAL COMPOSITIONS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1402900A1

  公开（公告）日：2004-03-31

  The present invention relates to an agent for the prophylaxis or treatment of pain, an agent for suppressing activation of osteoclast, and an inhibitor of osteoclast formation, which contains a p38 MAP kinase inhibitor and/or a TNF-α production inhibitor.

  本发明涉及一种用于预防或治疗疼痛的药剂，一种用于抑制破骨细胞活化的药剂，以及一种包含p38 MAP激酶抑制剂和/或TNF-α产生抑制剂的破骨细胞形成抑制剂。
• Thrombopoietin Receptor Agonists
  申请人：Reiter Lawrence A.

  公开号：US20080076771A1

  公开（公告）日：2008-03-27

  A compound of the formula (I) useful as promoters of thrombopoiesis and megakaryocytopoiesis, wherein A, B, D, E, W, X, Y, Z, R 1 and R 2 are defined as above.

  一种化合物，其化学式为（I），可用作促进血小板生成和巨核细胞生成的促进剂，其中A、B、D、E、W、X、Y、Z、R1和R2如上所定义。
• Thiazoles as inhibitors of 11B-hydroxysteroid dehydrogenase
  申请人：Gillespie Paul

  公开号：US20070167622A1

  公开（公告）日：2007-07-19

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, type II diabetes mellitus and metabolic syndrome.

  提供的化合物为公式(I)： 以及其中可接受的药用盐，其中取代基如说明书所述。这些化合物以及包含它们的药物组合物可用于治疗诸如2型糖尿病和代谢综合征等疾病。
• Trpm8 antagonists
  申请人：Dompe' S.P.A.

  公开号：EP2606888A1

  公开（公告）日：2013-06-26

  The invention relates to compounds acting as selective antagonists of Transient Receptor Potential cation channel subfamily M member 8 (TRPM8), and having formula: Said compounds are useful in the treatment of diseases associated with activity of TRPM8 such as pain, inflammation, ischaemia, neurodegeneration, stroke, psychiatric disorders, inflammatory conditions and urological disorders.

  该发明涉及作为瞬时受体电位阳离子通道亚家族M成员8（TRPM8）的选择性拮抗剂的化合物，其化学式为：这些化合物在治疗与TRPM8活性相关的疾病方面具有用途，如疼痛、炎症、缺血、神经退行性疾病、中风、精神障碍、炎症性疾病和泌尿系统疾病。