5-(4-氯苯基)-1,2,4-噻二唑-3-胺 | 89894-30-4

• 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: 5-(4-氯苯基)-1,2,4-噻二唑-3-胺
• 中文别名: 3-氨基-5-(4-氯苯基)-1,2,4-噻二唑
• 英文名称: 3-Amino-5--1,2,4-thiadiazol
• 英文别名: 5-(4-chloro-phenyl)-[1,2,4]thiadiazol-3-ylamine；5-(4-Chlor-phenyl)-[1,2,4]thiadiazol-3-ylamin；5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine
• CAS: 89894-30-4
• 化学式: C₈H₆ClN₃S
• mdl: MFCD05865131
• 分子量: 211.675
• InChiKey: XVSZVIZTUWVCFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

SDS

Name:	5-(4-Chlorophenyl)-1 2 4-thiadiazol-3-amine Material Safety Data Sheet
Synonym:	None Known
CAS:	89894-30-4

Section 1 - Chemical Product MSDS Name:5-(4-Chlorophenyl)-1 2 4-thiadiazol-3-amine Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
89894-30-4	5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-	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 irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. Harmful if inhaled.
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:
Vacuum or sweep up material and place into a suitable disposal container. 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:
Minimize dust generation and accumulation. 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# 89894-30-4: 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: white
Odor: slight
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 201.0-202.2 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: C8H6ClN3S
Molecular Weight: 211.68

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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:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 89894-30-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine - 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# 89894-30-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 89894-30-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 89894-30-4 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：

  5-(4-氯苯基)-1,2,4-噻二唑-3-胺 、 3,4-二甲氧基苯磺酰氯 在 氩 、 吡啶 、 乙酸乙酯 、 sodium hydroxide 、 乙醇 、 Sodium sulfate-III 、 水 作用下， 以 吡啶 为溶剂， 反应 21.0h， 以to give white needles (384 mg)的产率得到3,4-Dimethoxy-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]benzenesulfonamide
  参考文献：
  名称：

  Small molecule inhibitors of kynurenine-3-monooxygenase

  摘要：

  本发明涉及以下式I的化合物及其互变异构体或药学上可接受的盐、组合物和使用方法：

  公开号：

  US08071631B2
• 作为产物：
  描述：

  4-氯苯甲酰氯 在 盐酸 、 乙醇 、 硫化氢 、 双氧水 作用下， 生成 5-(4-氯苯基)-1,2,4-噻二唑-3-胺
  参考文献：
  名称：

  Review of the treatment literature for encopresis, functional constipation, and stool-toileting refusal

  摘要：

  This review summarizes the literature an randomized, controlled, published studies involving medical, behavioral, psychological, and biofeedback treatments for encopresis/functional constipation and stool-toileting refusal in preschool-age and school-age children. Nine such studies were located in the literature involving school-age children. No randomized controlled treatment studies involving preschool-age children have been published. This review revealed no evidence to support the routine Else of psychotherapy or anal sphincter biofeedback in the treatment of pediatric fecal elimination dysfunctions, beyond those benefits derived from a comprehensive medical-behavioral intervention. Further this review indicated that paradoxical constriction. of the External Anal Sphincter does not influence the treatment outcome of either biofeedback or medical-behavioral interventions. There are remarkably few controlled treatment outcome studies in this most important clinical area. More research is needed that employs standard treatment outcome variables.

  DOI：

  10.1007/bf02895121

文献信息

• SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE
  申请人：Muchowski J. Paul

  公开号：US20080070937A1

  公开（公告）日：2008-03-20

  The present invention relates to compounds of Formula I below and their tautomers or pharmaceutically acceptable salts, compositions and methods of uses thereof.

  本发明涉及以下式子的化合物及其互变异构体或药学上可接受的盐，以及它们的组合物和使用方法。
• Use of thiadiazole compounds as inhibitors of kynurenine-3-monooxygenase
  申请人：The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone

  公开号：EP2420494A1

  公开（公告）日：2012-02-22

  The present invention relates to compounds of the Formula II wherein: is thiadiazole and tautomers and pharmaceutically acceptable salts thereof.

  本发明涉及式 II 的化合物 其中 是噻二唑及其同系物和药学上可接受的盐。
• US8071631B2
  申请人：——

  公开号：US8071631B2

  公开（公告）日：2011-12-06
• US8466182B2
  申请人：——

  公开号：US8466182B2

  公开（公告）日：2013-06-18
• [EN] SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE<br/>[FR] petits inhibiteurs moléculaires de la kynurénine-3-monooxygénase
  申请人：DAVID GLADSTONE INST J

  公开号：WO2008022286A2

  公开（公告）日：2008-02-21

  [EN] The present invention relates to compounds of Formula I below and their tautomers or pharmaceutically acceptable salts, compositions and methods of uses thereof.
  [FR] La présente invention concerne des composés correspondant à la formule I ci-dessous, leurs tautomères ou sels pharmaceutiquement acceptables, des compositions et procédés d'utilisation.