5-氯乙基四氮唑 | 18755-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-氯乙基四氮唑
• 中文别名: 5-氯乙基-1H-四唑
• 英文名称: 5-(2-chloroethyl)tetrazole
• 英文别名: 5-β-chloroethyltetrazole；5-(2-chloroethyl)-1H-tetrazole；5-(2-chloroethyl)-2H-tetrazole
• CAS: 18755-46-9
• 化学式: C₃H₅ClN₄
• mdl: MFCD00123349
• 分子量: 132.553
• InChiKey: YZQCWPFTAAUGPS-UHFFFAOYSA-N

物化性质

• 熔点：
  100-105
• 沸点：
  298.4±42.0 °C(Predicted)
• 密度：
  1.446±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  4.1
• 危险品标志：
  F,C
• 危险类别码：
  R34,R11
• 危险品运输编号：
  3178
• 海关编码：
  2933990090
• 包装等级：
  Ⅲ
• 危险类别：
  4.1
• 安全说明：
  S16,S26,S36/37/39,S45

SDS

Name:	5-(2-Chloroethyl)-1h-1 2 3 4-tetraazole 97% Material Safety Data Sheet
Synonym:
CAS:	18755-46-9

Section 1 - Chemical Product MSDS Name:5-(2-Chloroethyl)-1h-1 2 3 4-tetraazole 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18755-46-9	5-(2-Chloroethyl)-1H-1,2,3,4-tetraazol	97%	unlisted

Hazard Symbols: F C
Risk Phrases: 11 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Highly flammable. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Flammable solid.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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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. Remove all sources of ignition. Use a spark-proof tool.

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Section 7 - HANDLING and STORAGE
Handling:
Use spark-proof tools and explosion proof equipment. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Flammables-area.

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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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 18755-46-9: 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: off-white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 103 - 105 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: C3H5ClN4
Molecular Weight: 133

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 18755-46-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-(2-Chloroethyl)-1H-1,2,3,4-tetraazole - 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: FLAMMABLE SOLID, CORROSIVE, ORGANIC, N.O.S.*
Hazard Class: 4.1 (8)
UN Number: 2925
Packing Group: III
IMO
Shipping Name: FLAMMABLE SOLID, CORROSIVE, ORGANIC, N.O.S.
Hazard Class: 4.1 (8)
UN Number: 2925
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE SOLID, CORROSIVE, ORGANIC, N.O.S.
Hazard Class: 4.1 (8)
UN Number: 2925
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F C
Risk Phrases:
R 11 Highly flammable.
R 34 Causes burns.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
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.
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# 18755-46-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18755-46-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18755-46-9 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：

  5-氯乙基四氮唑 在 对苯二酚 、 potassium hydroxide 作用下， 以 水 为溶剂， 反应 2.5h， 以65%的产率得到5-vinyl-1,2,3,4-tetrazole
  参考文献：
  名称：

  5-乙烯基四唑与乙烯基苄基膦酸的两性共聚物的合成及性能

  摘要：

  已经研究了两性聚合物的各种应用，例如从无机盐混合物中分离低分子量有机分子，选择性离子迁移，通过具有生物学意义的膜的药物递送，离子药物和蛋白质的分离以及酒精和水的分离。典型的两性聚合物由弱碱和弱酸基团组成。在本研究中，研究了5-乙烯基四唑（VT）和磷酸二异丙酯-对乙烯基苄基酯（DIPVBP）通过自由基聚合的共聚作用。根据Kelen-Tudos图计算得出的VT和DIPVBP的反应率分别为0.251和0.345。VT和二异丙基对乙烯基苄基膦酸的两性共聚物（聚（VT- co‐VBPA））是通过VT和DIPVBP（poly（VT‐ co‐ DIPVBP））共聚物的水解获得的。聚（VT- co- VBPA）在190°C时具有热稳定性。两性聚（VT- co- VBPA）的无水质子电导率在170°C时可达到1.54× 10-4 S cm -1，活化能为114.7 kJ mol -1。©2013 Wiley

  DOI：

  10.1002/pola.26747
• 作为产物：
  描述：

  β-氯丙腈 在 叠氮基三甲基硅烷 、 三甲基铝 作用下， 以 甲苯 为溶剂， 以89%的产率得到5-氯乙基四氮唑
  参考文献：
  名称：

  三甲基甲硅烷基叠氮化物/三甲基铝由腈制备四唑的新方法

  摘要：

  通过用等摩尔的三甲基铝和三甲基甲硅烷基叠氮化物处理，可以从烷基和芳基腈以高收率制备四唑。产率，基材相容性和反应温度与使用其他金属叠氮化物如Al（N 3）3和n-Bu 3 SnN 3相当。反应在80℃在甲苯中或在添加THF的条件下进行。

  DOI：

  10.1016/s0040-4039(00)61437-5

文献信息

• [EN] CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF<br/>[FR] COMPOSITIONS CHIMIQUES PARTICULIÈRES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ALGEN BIOTECHNOLOGIES INC

  公开号：WO2021231892A1

  公开（公告）日：2021-11-18

  The present disclosure provides CDK9 inhibitors. Also provided are methods of treating a disease or a disorder comprising administering to a subject in need of treatment one of the CDK9 inhibitors disclosed herein. In some embodiments, the disease or disorder to be treated is cancer. In some embodiments, the disease or disorder is liver cancer.

  本公开提供了CDK9抑制剂。还提供了治疗疾病或紊乱的方法，包括向需要治疗的受试者施用本公开的CDK9抑制剂之一。在某些实施例中，要治疗的疾病或紊乱是癌症。在某些实施例中，疾病或紊乱是肝癌。
• [EN] EIF4E INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS D'EIF4E ET LEURS UTILISATIONS
  申请人：PIC THERAPEUTICS INC

  公开号：WO2021178488A1

  公开（公告）日：2021-09-10

  The present invention provides compounds inhibiting elF4E activity and compositions and methods of using thereof.

  本发明提供了抑制elF4E活性的化合物以及使用它们的组合物和方法。
• Spiro-hydantoin compounds useful as anti-inflammatory agents
  申请人：——

  公开号：US20040009998A1

  公开（公告）日：2004-01-15

  Compounds having the formula (I), and pharmaceutically-acceptable salts, hydrates, enantiomers, and diastereomers, and prodrugs thereof, 1 are useful as inhibitors of LFA-1/ICAM and as anti-inflammatory agents, wherein L and K are O or S; Z is N or CR 4b ; Ar is an optionally-substituted aryl or heteroaryl; G is a linker attached to T or M or is absent; J, M and T are selected to define a three to six membered saturated or partially unsaturated non-aromatic ring; and R 2 R 4a , R 4b , and R 4c are as defined in the specification.

  具有公式(I)的化合物，以及药用可接受的盐、水合物、对映异构体、非对映异构体和前药，可用作LFA-1/ICAM的抑制剂和作为抗炎剂，其中L和K是O或S；Z是N或CR4b；Ar是可选地取代的芳基或杂芳基；G是连接到T或M的连接剂或不存在；J、M和T被选用来定义一个三到六成员的饱和或部分不饱和的非芳香环；R2R4a, R4b, 和R4c如说明书所定义。
• Substituted pyrido [2,1-a] isoquinoline derivatives
  申请人：Boehringer Markus

  公开号：US20060116393A1

  公开（公告）日：2006-06-01

  The present invention relates to compounds of formula (I) wherein R 1 to R 4 are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with DPP-IV, such as diabetes, particularly non-insulin dependent diabetes mellitus, and impaired glucose tolerance.

  本发明涉及式(I)的化合物，其中R1至R4如描述和索赔中定义，并且其药学上可接受的盐。这些化合物对与DPP-IV相关的疾病的治疗和/或预防有用，例如糖尿病，特别是非胰岛素依赖型糖尿病和糖耐量受损。
• Substituted indazolyl(indolyl)maleimide derivatives as kinase inhibitors
  申请人：Zhang Han-Cheng

  公开号：US20050004201A1

  公开（公告）日：2005-01-06

  The present invention is directed to novel indazolyl-substituted pyrroline compounds of Formula (I): R 2 is selected from the group consisting of —C 1-8 alkyl-Z, —C 2-8 alkenyl-Z and —C 2-8 alkynyl-Z; wherein the —C 1-8 alkyl-Z, —C 2-8 alkenyl-Z and —C 2-8 alkynyl-Z and Z is a 5 to 6 member aromatic monocyclic heteroaryl ring having from 2 to 4 heteroatoms. These compounds are useful as kinase or dual-kinase inhibitors, methods for producing such compounds and methods for treating or ameliorating a kinase or dual-kinase mediated disorder.

  本发明涉及一种新型的Formula (I)的吲唑基取代的吡咯烯化合物：R2选自由—C1-8烷基-Z，—C2-8烯基-Z和—C2-8炔基-Z组成的群；其中—C1-8烷基-Z，—C2-8烯基-Z和—C2-8炔基-Z以及Z是一个含有2到4个杂原子的5到6成员芳香单环杂环烷基环。这些化合物可用作激酶或双激酶抑制剂，用于生产这种化合物的方法以及治疗或改善激酶或双激酶介导的疾病的方法。