3-(2,4-二氯苯基)丙酸 | 55144-92-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 3-(2,4-二氯苯基)丙酸
• 中文别名: 3-(2,4-二氯苯)丙酸
• 英文名称: 3-(2,4-dichlorophenyl)propionic acid
• 英文别名: 3-(2,4-dichlorophenyl)-propionic acid；3-(2,4-dichlorophenyl)propanoic acid；3-(2,4-dichloro-phenyl)-propionic acid；3-(2,4-Dichlor-phenyl)-propionsaeure；3-(2,4-di-chlorophenyl)propionic acid
• CAS: 55144-92-8
• 化学式: C₉H₈Cl₂O₂
• mdl: MFCD00275605
• 分子量: 219.067
• InChiKey: HLNPVFSCAMKIOD-UHFFFAOYSA-N

物化性质

• 熔点：
  89-93 °C (lit.)
• 沸点：
  336.6±27.0 °C(Predicted)
• 密度：
  1.392±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn,N
• 危险类别码：
  R22,R50/53,R41,R37/38
• 危险品运输编号：
  UN 3077
• 海关编码：
  2916399090
• 安全说明：
  S26,S36,S60,S61
• WGK Germany：
  3
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P261,P273,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H318,H335,H400
• 储存条件：
  储存条件：室温、密封、干燥

SDS

Name:	3-(2 4-Dichlorophenyl)propanoic acid 97% Material Safety Data Sheet
Synonym:
CAS:	55144-92-8

Section 1 - Chemical Product MSDS Name:3-(2 4-Dichlorophenyl)propanoic acid 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
55144-92-8	3-(2,4-Dichlorophenyl)propanoic acid	97%	unlisted

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.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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. 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.
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.

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Section 7 - HANDLING and STORAGE
Handling:
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# 55144-92-8: Personal Protective Equipment Eyes: Not available.
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: pink
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 89 - 91 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: C9H8Cl2O2
Molecular Weight: 219.07

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 55144-92-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(2,4-Dichlorophenyl)propanoic acid - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 55144-92-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 55144-92-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 55144-92-8 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

反应信息

• 作为反应物：
  描述：

  3-(2,4-二氯苯基)丙酸 在 aluminum (III) chloride 、 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 4,6-二氯-2,3-二氢-1H-茚-1-酮
  参考文献：
  名称：

  咪唑基乙烯酮二硫缩醛杀菌剂的构象锁定和C-连接类似物的合成

  摘要：

  已经制备了具有未知三环 4,8b-二氢-3aH-茚[1,2-d][1,3] 二硫醇环系统的第一个例子。此外，在环的 5 位连接到具有环外氰基和咪唑取代的 C-C 双键的乙烯酮二硫缩醛和 1,3-二噻烷衍生物的咪唑是全新的。所有这些化合物都是抗真菌剂卢立康唑的构象锁定、C-连接或六环类似物。报道了这些甾醇生物合成抑制剂的合成和杀真菌活性。

  DOI：

  10.1055/s-0037-1610341
• 作为产物：
  描述：

  反-2,4-二氯肉桂酸 在 platinum(IV) oxide 氢气 作用下， 以 乙醇 为溶剂， 生成 3-(2,4-二氯苯基)丙酸
  参考文献：
  名称：

  茚满亚胺。2.设计和合成（E）-2-（4-氯-6-氟-1-茚二亚基）-N-甲基乙酰胺，这是一种有效的消炎和镇痛药，没有集中作用的肌肉松弛活性。

  摘要：

  结构-活性关系研究的扩展，导致发现了非镇静有效的肌肉松弛剂，消炎药和镇痛剂（E）-2-（4,6-二氟-1-茚二亚基）乙酰胺1 （E）-2-（4-氯-6-氟-1-茚二烯基）-N-甲基乙酰胺，2.化合物2是有效的抗炎和止痛剂，没有集中作用的肌肉松弛活性。

  DOI：

  10.1021/jm020068k

文献信息

• [EN] INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1<br/>[FR] INHIBITEURS DE LA 11?-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE DE TYPE 1
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2009108332A1

  公开（公告）日：2009-09-03

  This invention relates to novel compounds of the Formulae I or II and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof which are useful for the therapeutic treatment of diseases associated with the modulation or inhibition of 11 β-HSD l in mammals.Formula (I).

  这项发明涉及到式I或II的新化合物及其药用盐，以及与之相关的药物组合物，用于治疗与哺乳动物中11β-HSD l的调节或抑制相关的疾病。Formula (I)。
• [DE] NEUE AMID-VERBINDUNGEN MIT MCH-ANTAGONISTISCHER WIRKUNG UND DIESE VERBINDUNGEN ENTHALTENDE ARZNEIMITTEL<br/>[EN] NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES DE TYPE AMIDE EXERÇANT UNE ACTION ANTAGONISTE SUR L'HORMONE MCH, ET MEDICAMENTS CONTENANT CES COMPOSES
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2004039764A1

  公开（公告）日：2004-05-13

  Die vorliegende Erfindung betrifft Amid-Verbindungen der allgemeinen Formel (I), in der die Gruppen und Reste A, B, b, W, X, Y, Z, R1, R2 und R3 die in Anspruch 1 angegebenen Bedeutungen aufweisen. Ferner betrifft die Erfindung Arzneimittel enthaltend mindestens ein erfindungsgemässes Amid. Auf Grund der MCH-Rezeptor antagonistischen Aktivität eignen sich die erfindungsgemässen Arzneimittel zur Behandlung von metabolischen Störungen und/oder Essstörungen, insbesondere von Obesitas, Bulimie, Anorexie, Hyperphagia und Diabetes.

  该发明涉及通式（I）的酰胺化合物，其中基团和残基A、B、b、W、X、Y、Z、R1、R2和R3具有权利要求1中所述的含义。此外，该发明涉及含有至少一种根据本发明的酰胺的药物。由于MCH受体拮抗活性，根据本发明的药物适用于治疗代谢紊乱和/或进食障碍，特别是肥胖症、暴食症、厌食症、过度进食和糖尿病。
• [EN] QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE<br/>[FR] INHIBITEURS QUINOLÉINONE CARBOXAMIDE DE LIPASE ENDOTHÉLIALE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2013048942A1

  公开（公告）日：2013-04-04

  The present invention provides compounds of Formula (I): as defined in the specification and compositions comprising any of such novel compounds. These compounds are endothelial lipase inhibitors which may be used as medicaments.

  本发明提供了如规范中定义的Formula (I)的化合物，以及包含任何此类新化合物的组合物。这些化合物是内皮脂酶抑制剂，可用作药物。
• Autotaxin inhibitors
  申请人：Legrand Darren Mark

  公开号：US20140171403A1

  公开（公告）日：2014-06-19

  The present invention relates to novel compounds that are autotaxin inhibitors, processes for their preparation, pharmaceutical compositions and medicaments containing them and to their use in diseases and disorders mediated by autotaxin.

  本发明涉及一种新型化合物，它们是自体磷脂酶A抑制剂，以及它们的制备方法、含有它们的药物组合物和药物，以及它们在由自体磷脂酶A介导的疾病和紊乱中的应用。
• Quinolones used as MRS inhibitors and bactericides
  申请人：SmithKline Beecham plc

  公开号：US06320051B1

  公开（公告）日：2001-11-20

  Compounds of formula (I) are inhibitors of the bacterial enzyme S aureus methionyl tRNA synthetase and are of use in treating bacterial infections.

  化合物的化学式（I）是细菌酶S aureus甲硫氨酰tRNA合成酶的抑制剂，并可用于治疗细菌感染。