2-氨基-5-(4-氯苯基)-1,3,4-噻二唑 | 28004-62-8

• 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-氨基-5-(4-氯苯基)-1,3,4-噻二唑
• 中文别名: 5-(4-氯苯基)-[1,3,4]噻二唑-2-胺
• 英文名称: 2-amino-5-(4-chlorophenyl)-1,3,4-thiadiazole
• 英文别名: 2-amino-5-p-chlorophenyl-1,3,4-thiadiazole；5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine；5-(4-chlorophenyl)-1,3,4-thiadiazole-2-amine；2-Amino-5-(p-chlor-phenyl)-1,3,4-thiadiazol
• CAS: 28004-62-8
• 化学式: C₈H₆ClN₃S
• mdl: MFCD00980966
• 分子量: 211.675
• InChiKey: OAVULPOOAHQYDZ-UHFFFAOYSA-N

物化性质

• 熔点：
  229-233 °C (lit.)
• 沸点：
  383.9±44.0 °C(Predicted)
• 密度：
  1.461±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 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

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• WGK Germany：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  保持贮藏器密封，并将其放入一个紧密的容器中。应储存在阴凉、干燥的地方。

SDS

Name:	5-(4-Chlorophenyl)-1,3,4-Thiadiazole-2-Ylamine, 98% Material Safety Data Sheet
Synonym:
CAS:	28004-62-8

Section 1 - Chemical Product MSDS Name: 5-(4-Chlorophenyl)-1,3,4-Thiadiazole-2-Ylamine, 98% Material Safety Data Sheet
Synonym:

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
28004-62-8	5-(4-Chlorophenyl)-1,3,4-Thiadiazole-2	98	unlisted

+++++
Hazard Symbols: None Listed.

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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. 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.
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. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

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SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 28004-62-8: 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: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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:
Molecular Weight:

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 28004-62-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(4-Chlorophenyl)-1,3,4-Thiadiazole-2-Ylamine - 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: Not available.
Risk Phrases:
Safety Phrases: 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# 28004-62-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 28004-62-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 28004-62-8 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 1/18/1999 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氨基-5-(4-氯苯基)-1,3,4-噻二唑 在 硫酸 、 硝酸 作用下， 以 吡啶 为溶剂， 反应 11.0h， 生成 2-amino-5-(3-nitro-4-piperazinylphenyl)-1,3,4-thiadiazole
  参考文献：
  名称：

  Chauhan, P. M. S.; Bhakuni, D. S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1986, vol. 25, p. 1146 - 1149

  摘要：

  DOI：
• 作为产物：
  描述：

  对氯苯甲酸甲酯 在 盐酸 、 硫酸 、 肼 作用下， 以 水 为溶剂， 生成 2-氨基-5-(4-氯苯基)-1,3,4-噻二唑
  参考文献：
  名称：

  N-烷基-3,6-二芳基-[1,2,4]三唑并[4,3-b][1,2,4]三嗪-7-胺在无溶剂条件下的高效三组分合成

  摘要：

  一种简单、高效、环保的合成N-烷基-3,6-二芳基[1,2,4]三唑并[4,3-b][1,2,4]triazin-7-的方法基于 5-芳基-4H-1,2,4三唑-3,4-二胺、异氰化物和醛在无溶剂条件下三组分反应的胺。以中等至良好的收率获得产品并且处于高纯度状态。

  DOI：

  10.24820/ark.5550190.p010.175

文献信息

• Synthesis and CNS depressant activity of some novel 3-[5-substituted 1,3,4-thiadiazole-2-yl]-2-styryl quinazoline-4(3H)-ones