4-[(4-氯苯基)磺酰基]-3-甲基噻吩-2-羧酸 | 175137-65-2

• 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: 4-[(4-氯苯基)磺酰基]-3-甲基噻吩-2-羧酸
• 英文名称: 4-[(4-Chlorophenyl)sulfonyl]-3-methylthiophene-2-carboxylic acid
• 英文别名: 4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carboxylic acid
• CAS: 175137-65-2
• 化学式: C₁₂H₉ClO₄S₂
• mdl: MFCD00067886
• 分子量: 316.8
• InChiKey: WZQQSJVPCVCQKE-UHFFFAOYSA-N

物化性质

• 熔点：
  252 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2934999090

SDS

Name:	4-[(4-Chlorophenyl)sulfonyl]-3-methylthiophene-2-carboxylic acid 97% Material Safety Data Sheet
Synonym:
CAS:	175137-65-2

Section 1 - Chemical Product MSDS Name:4-[(4-Chlorophenyl)sulfonyl]-3-methylthiophene-2-carboxylic acid 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175137-65-2	4-[(4-Chlorophenyl)sulfonyl]-3-methylt	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:
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:

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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# 175137-65-2: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 246 - 249 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: C12H9ClO4S2
Molecular Weight: 317

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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, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175137-65-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-[(4-Chlorophenyl)sulfonyl]-3-methylthiophene-2-carboxylic 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: 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# 175137-65-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175137-65-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175137-65-2 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：

  4-[(4-氯苯基)磺酰基]-3-甲基噻吩-2-羧酸 、 2-氨基-4,6-二甲基吡啶 以the object compound (55 mg, 14%) was obtained as a white solid的产率得到4-[(4-chlorophenyl)sulfonyl]-N-(4,6-dimethylpyridin-2-yl)-3-methylthiophene-2-carboxamide
  参考文献：
  名称：

  Aromatic amine derivative and use thereof

  摘要：

  本发明提供一种新型SCD抑制剂。一种包含由式[I]表示的化合物的SCD抑制剂，其中环A是可选取代的芳香环，环B是可选取代的环，环C是可选取代的芳香环，R是氢原子，可选取代的碳氢基团或可选取代的杂环基团，而X是具有1至5个原子的主链间隔物，或其盐或前药。

  公开号：

  US20090325956A1

文献信息

• Substituted Cyclohexylmethyl Compounds
  申请人：OBERBOERSCH Stefan

  公开号：US20090286833A1

  公开（公告）日：2009-11-19

  Novel cyclohexylmethyl compounds corresponding to formula I wherein R 1 , R 2 , R 3 , R 4 and R 5 , have the meanings given in the description. Pharmaceutical formulations containing these compounds, as well as a processes for preparing these compounds and related methods of treatment are also provided.

  新型环己基甲基化合物对应于式I，其中R1、R2、R3、R4和R5在描述中给出了它们的含义。还提供了含有这些化合物的药物配方，以及制备这些化合物的过程和相关治疗方法。
• Organic Compounds
  申请人：Fairhurst Robin Alec

  公开号：US20100286126A1

  公开（公告）日：2010-11-11

  A compound of formula (I) or stereoisomers or pharmaceutically acceptable salts thereof, and their preparation and use as pharmaceuticals wherein R 1 , R 2 and R 3 are as defined herein.

  化合物的公式（I）或其立体异构体或药用可接受的盐，以及它们的制备和用途作为药物，其中R1、R2和R3如本文所定义。
• NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY
  申请人：J. URIACH & CIA. S.A.

  公开号：EP0783502A1

  公开（公告）日：1997-07-16
• SUBSTITUIERTE CYCLOHEXYLMETHYL-DERIVATE
  申请人：Grünenthal GmbH

  公开号：EP1989174B1

  公开（公告）日：2011-08-03
• PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS
  申请人：NOVARTIS AG

  公开号：EP2013211A2

  公开（公告）日：2009-01-14