2-氨基-4-亚氨基-2-噻唑啉盐酸盐 | 36518-76-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 中文名称: 2-氨基-4-亚氨基-2-噻唑啉盐酸盐
• 中文别名: 2-氨基-4-亚氨基-2-噻唑啉
• 英文名称: 4-iminium-4,5-dihydrothiazol-2-yl amine chloride
• 英文别名: 2-amino-4-imino-2-thiazoline hydrochloride；2-amino-4-thiazoliniminium chloride；2-Imino-2,5-dihydrothiazol-4-amine hydrochloride；4-imino-1,3-thiazol-2-amine;hydrochloride
• CAS: 36518-76-0
• 化学式: C₃H₅N₃S*ClH
• 分子量: 151.62
• InChiKey: ANDLBJXZBLTCDP-UHFFFAOYSA-N

物化性质

• 熔点：
  230 °C
• 稳定性/保质期：
  常规情况下不会分解，也没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  0.45
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  87.5
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 危险等级：
  6.1
• 安全说明：
  S24/25
• 海关编码：
  2934100090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险品运输编号：
  UN 2811

SDS

Name:	2-Amino-4-Imino-2-Thiazoline Hydrochloride 99% Material Safety Data Sheet
Synonym:	None known
CAS:	36518-76-0

Section 1 - Chemical Product MSDS Name:2-Amino-4-Imino-2-Thiazoline Hydrochloride 99% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
36518-76-0	2-Amino-4-Imino-2-Thiazoline Hydrochlo	99	253-083-2

Hazard Symbols: None Listed.
Risk Phrases: 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.
Skin:
May cause skin irritation.
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, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. 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:
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# 36518-76-0: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white to pale yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 230 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C3H5N3S.HCl
Molecular Weight: 151.62

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 36518-76-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-4-Imino-2-Thiazoline 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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 24/25 Avoid contact with skin and eyes.
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# 36518-76-0: No information available.
Canada
CAS# 36518-76-0 is listed on Canada's NDSL List.
CAS# 36518-76-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 36518-76-0 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  六氟乙酰丙酮 、 2-氨基-4-亚氨基-2-噻唑啉盐酸盐 在 sodium acetate 、 溶剂黄146 作用下， 反应 1.0h， 以80%的产率得到5,7-bis(trifluoromethyl)triazolo[4,5-b]pyridin-2-amine
  参考文献：
  名称：

  噻唑并[4,5-d]吡啶的合成

  摘要：

  研究了2-氨基噻唑-4(5H)-亚胺盐与各种1,3-CCC-介电试剂的反应。结果，获得了一组不同的噻唑并[4,5-d]吡啶。描述了该方法的范围和限制。

  DOI：

  10.1055/s-2008-1067152
• 作为产物：
  描述：

  氯乙腈 、 硫脲 以 乙醇 为溶剂， 反应 1.0h， 以98%的产率得到2-氨基-4-亚氨基-2-噻唑啉盐酸盐
  参考文献：
  名称：

  Synthesis of N-Substituted 2,4-Diaminothiazoles and Their Salts

  摘要：

  DOI：

  10.3987/com-96-7672

文献信息

• Three-component condensation of 2,4-diaminothiazoles with aldehydes and Meldrum’s acid. The synthesis of 7-aryl- and 7-alkyl-6,7-dihydro-4H-thiazolo[4,5-b]pyridin-5-ones
  作者：A. A. Dudinov、B. V. Lichitsky、I. A. Antonov、A. N. Komogortsev、P. A. Belyakov、M. M. Krayushkin

  DOI：10.1007/s11172-008-0230-5

  日期：2008.8

  7-Aryl- and 7-alkyl-6,7-dihydro-4H-thiazolo[4,5-b]pyridin-5-ones were obtained by three-component condensation of 5-unsubstituted 2-amino-4-iminothiazolidine hydrochlorides with aromatic or aliphatic aldehydes and Meldrum’s acid.

  通过 5-未取代的 2-氨基-4-亚氨基噻唑烷盐酸盐与芳香族或脂肪族醛类和梅尔德鲁姆酸的三组份缩合，得到 7-芳基和 7-烷基-6,7-二氢-4H-噻唑并[4,5-b]吡啶-5-酮。
• Studies on the reactivity of fused thiazole toward nucleophilic reagents: Synthesis of new thiazolo-derivatives of potential antischistosomal activity
  作者：Fatma M. Manhi、Madiha R. Mahmoud

  DOI：10.1002/hc.20072

  日期：——

  Schistosomiasis is considered one of the most important human helminth infection in terms of morbidity and infectivity (Chitsulo et al. Acta Trop 2000, 77, 41; Engles et al. Acta Trop 2002, 82, 139; Shelly et al. Mol Biochem Parasitol 1993, 60, 93). Derivatives of 2-amino-5-nitrothiazoles have shown activity against Schistosoma mansoni (S. mansoni) and Schistosoma haematobium (S. haematobium), but

  就发病率和传染性而言，血吸虫病被认为是最重要的人类蠕虫感染之一（Chitsulo 等人 Acta Trop 2000, 77, 41；Engles 等人 Acta Trop 2002, 82, 139；Shelly 等人 Mol Biochem9 Parasitol 19 , 60, 93)。2-氨基-5-硝基噻唑衍生物已显示出对曼氏血吸虫（S. mansoni）和血吸虫（S. haematobium）的活性，但由于它们的毒性作用，我们合成了具有噻唑部分的杂芳胺的新衍生物。所需的噻唑衍生物通过 1 和 2 制备。在这项工作中，使用两批动物测试 10 种噻唑衍生物对血吸虫病的疗效。第一批瑞士白化鼠感染曼氏链球菌，按 5 × 50 mg/kg bw 处理第二批金仓鼠感染曼氏链球菌。以 5 × 100 mg/kg bw 处理 寄生虫学参数、生化研究和肉芽肿直径。结果表明，在曼氏链球菌感染小鼠的情况下，化合物
• Thiazolidinylidene-isoindolines
  申请人：Sterling Drug Inc.

  公开号：US03993658A1

  公开（公告）日：1976-11-23

  This invention relates to novel compounds of the isoindolenine series. More particularly, the present invention relates to certain novel 1-imino-3-(4-imino-5-thiazolidinylidene)isoindolines, 1-imino-3-(4-imino-2-thiazolin-5-ylidene)isoindolines, water-insoluble pigments prepared therefrom, and to methods for their preparation.

  本发明涉及isoindolenine系列的新化合物。更具体地，本发明涉及某些新的1-亚氨基-3-(4-亚氨基-5-噻唑啉基)异吲哚啉，1-亚氨基-3-(4-亚氨基-2-噻唑啉-5-基)异吲哚啉，以及由此制备的水不溶性颜料，以及其制备方法。
• 1-Imino-3-(4-imino-5-thiazolidinylidene)isoindolines
  申请人：Sterling Drug Inc.

  公开号：US04066653A1

  公开（公告）日：1978-01-03

  This invention relates to novel compounds of the isoindolenine series. More particularly, the present invention relates to certain novel 1-imono-3-(4-imino-5-thiazolidinylidene)isoindolines, 1-imino-3-(4-imino-2-thiazolin-5-ylidene)isoindolines, water-insoluble pigments prepared therefrom, and to methods for their preparation.

  本发明涉及isoindolenine系列的新化合物。更具体地说，本发明涉及某些新的1-imono-3-(4-imino-5-thiazolidinylidene)isoindolines、1-imino-3-(4-imino-2-thiazolin-5-ylidene)isoindolines、由此制备的水不溶性颜料以及它们的制备方法。
• Polycyclic iminoisoindoline chelates
  申请人：Sterling Drug Inc.

  公开号：US04122261A1

  公开（公告）日：1978-10-24

  This invention relates to novel compounds of the isoindolenine series. More particularly, the present invention relates to certain novel 1-imino-3-(4-imino-5-thiazolidinylidene)isoindolines, 1-imino-3-(4-imino-2-thiazolin-5-ylidene)isoindolines, water-insoluble pigments prepared therefrom, and to methods for their preparation.

  本发明涉及新型的异吲哚啉系列化合物。更具体地，本发明涉及某些新的1-亚胺基-3-(4-亚胺基-5-噻唑啉基)异吲哚啉，1-亚胺基-3-(4-亚胺基-2-噻唑啉-5-基)异吲哚啉，以及从中制备的水不溶性颜料，以及它们的制备方法。