1-(4-哌啶基)-1H-1,2,3-苯并噻唑盐酸盐 | 79098-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 中文名称: 1-(4-哌啶基)-1H-1,2,3-苯并噻唑盐酸盐
• 英文名称: 4-(1H-1,2,3-benzotriazol-1-yl)piperidine hydrochloride
• 英文别名: 4-benzotriazol-1-yl-piperidine hydrochloride；1-piperidin-4-yl-1H-1,2,3-benzotriazole hydrochloride；1-(4-piperidyl)-1H-1,2,3-benzotriazole hydrochloride；1-piperidin-4-yl-1 H-benzotriazole, hydrochloride；1-piperidin-4-yl-1H-benzotriazole hydrochloride；4-benzotriazol-1-yl-piperidine HCl salt；1-piperidin-4-ylbenzotriazole;hydrochloride
• CAS: 79098-80-9
• 化学式: C₁₁H₁₄N₄*ClH
• mdl: MFCD00831110
• 分子量: 238.72
• InChiKey: SIZIQJKLJZWLLD-UHFFFAOYSA-N

物化性质

• 熔点：
  314 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.07
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090

SDS

Name:	1-(4-Piperidyl)-1H-1 2 3-benzotriazole hydrochloride 90+% Material Safety Data Sheet
Synonym:	4-(Benzotriazol-1-yl)piperidine hydrochlorid
CAS:	79098-80-9

Section 1 - Chemical Product MSDS Name:1-(4-Piperidyl)-1H-1 2 3-benzotriazole hydrochloride 90+% Material Safety Data Sheet
Synonym:4-(Benzotriazol-1-yl)piperidine hydrochlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
79098-80-9	1-(4-Piperidyl)-1H-1,2,3-benzotriazole	90+%	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# 79098-80-9: 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: black
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 308 - 311 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H15ClN4
Molecular Weight: 238.72

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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, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 79098-80-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Piperidyl)-1H-1,2,3-benzotriazole hydrochloride - 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 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# 79098-80-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 79098-80-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 79098-80-9 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：

  1-(4-哌啶基)-1H-1,2,3-苯并噻唑盐酸盐 生成 (4-benzotriazol-1-yl-piperidin-1-yl)-[6-chloro-1-(2-methylamino-ethyl)-1H-indol-3-yl]-methanone hydrochloride
  参考文献：
  名称：

  INDOLES

  摘要：

  本发明涉及新型吲哚-3-基-羰基-哌啶-苯并吡咯酮、苯并噁唑酮和苯并三唑衍生物作为V1a受体拮抗剂，它们的制备、含有它们的药物组合物以及它们用于治疗焦虑和抑郁症等疾病的用途。具体而言，本发明涉及具有式(I)的化合物，其中X、Y和R1至R10如规范中所述。

  公开号：

  US20080161315A1

文献信息

• Compounds and uses thereof for decreasing activity of hormone-sensitive lipase
  申请人：——

  公开号：US20030166644A1

  公开（公告）日：2003-09-04

  Use of compounds to inhibit hormone-sensitive lipase, pharmaceutical compositions comprising the compounds, methods of treatment employing these compounds and compositions, and novel compounds. The present compounds are inhibitors of hormone-sensitive lipase and may be useful in the treatment and/or prevention of medical disorders where a decreased activity of hormone-sensitive lipase is desirable.

  使用化合物抑制激素敏感性脂肪酶，包括这些化合物的药物组合物，使用这些化合物和组合物的治疗方法，以及新化合物。目前的化合物是激素敏感性脂肪酶的抑制剂，可能在治疗和/或预防需要降低激素敏感性脂肪酶活性的医学疾病中有用。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：ASTRAZENECA AB

  公开号：WO2004074278A1

  公开（公告）日：2004-09-02

  The invention relates to pyridine derivatives of formula (I) where the variables are defined in the specification.Processes for the preparation of these compounds together with pharmaceutical compositions containing them and their use in therapy in particular in the modulation of autoimmune disease is also described.

  这项发明涉及式(I)的吡啶衍生物，其中变量在规范中定义。描述了制备这些化合物的方法，以及含有它们的药物组合物，并且还描述了它们在治疗中的使用，特别是在调节自身免疫疾病方面的用途。
• Pyrrolidine modulators of chemokine receptor activity
  申请人：Merck & Co., Inc.

  公开号：US06248755B1

  公开（公告）日：2001-06-19

  The present invention is directed to pyrrolidine compounds of the formula I: (wherein R1, R2, R3, R4, R5, R6, R14 and n are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3.

  本发明涉及式I的吡咯烷化合物： （其中R1，R2，R3，R4，R5，R6，R14和n的定义如本文中）这些化合物可用作调节化学趋化因子受体活性的调节剂。特别是，这些化合物可用作调节CCR-5和/或CCR-3的化学趋化因子受体的调节剂。
• Method for treating allergies using substituted pyrazoles
  申请人：Butler R. Christopher

  公开号：US20050101587A9

  公开（公告）日：2005-05-12

  A method for treating an allergic condition, including an atopic allergic condition, using substituted pyrazoles.

  使用取代吡唑烷治疗过敏症状的方法，包括特应性过敏症状。
• Ccr5 modulators benzimidazoles or benzotriazoles
  申请人：——

  公开号：US20030119869A1

  公开（公告）日：2003-06-26

  The invention concerns compounds of formula (I), wherein the variables are defined herein; processes for preparing them, compositions comprising them and their use in modulating CCR5 receptor activity.

  这项发明涉及到式（I）的化合物，其中变量在此处定义；制备它们的过程，包含它们的组合物以及它们在调节CCR5受体活性中的用途。