化工社化工社 化学情報印刷レポート · 研究参考用
2-アミノチアゾール
2-アミノチアゾール · チアゾール-2-アミン · 2-チアゾールアミン · アバドール · 2-チアゾリルアミン · バセドール · 2アミノチアゾ-ル · ２アミノチアゾル
識別子と物理属性
| CAS No. | 96-50-4 |
|---|---|
| 分子式 | C3H4N2S |
| 平均分子量 | 100.14 g/mol |
| 単同位体質量 | 100.00951931 g/mol |
| SMILES | Nc1nccs1 |
| InChIKey | RAIPHJJURHTUIC-UHFFFAOYSA-N |
| PubChem CID | 2155 |
| ChEMBL | CHEMBL344760 |
| ChEBI | CHEBI:40782 |
| EC No. | 202-511-6 |
| DTXSID | DTXSID5024508 |
| 現地名 | 2-アミノチアゾール |
化学・物理的性質
| XLogP | 0.4 |
|---|---|
| 極性表面積 | 67.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 48 |
| 溶解度 | less than 1 mg/mL at 68 °F (NTP, 1992)1M HCl：可溶50mg/mL、透明（暗黄褐色）100g/L(20℃) |
| 沸点 | Decomposes (NTP, 1992)117 °C (15.002 mmHg) |
| 融点 | 194 °F (NTP, 1992)91-93 °C (lit.) |
| Physical Description | 2-aminothiazole appears as light brown crystals or brown granular solid. (NTP, 1992) |
| Collision Cross Section | 117.2 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]141.48 Ų [M+K]+ [CCS Type: TW114.58 Ų [M+H]+ [CCS Type: TW |
| 自然発火温度 | 212 °F after 3.5 hours (NTP, 1992) |
| 密度 | 1.241 (estimate) |
| 蒸気圧 | <1 hPa (20 °C) |
| 屈折率 | 1.5300 (estimate) |
| 引火点 | 117°C/15mm |
| 貯蔵条件 | Store below +30°C. |
| pKa（酸解離定数） | 5.36(at 20℃) |
| 外観・状態 | 結晶性粉末、穀物、塊またはフレーク |
| 色 | 茶色 |
| pH | 9.6 (100g/l, H2O, 20℃) |
| Merck | 14,479 |
| BRN | 105738 |
| InChI | 1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5) |
| InChIKey | RAIPHJJURHTUIC-UHFFFAOYSA-N |
| SMILES | [s]1[c]([nH]cc1)=N |
| LogP（分配係数） | 0.380 |
| CAS データベース | 96-50-4(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Aminothiazole(96-50-4) |
| EPAの化学物質情報 | 2-Aminothiazole (96-50-4) |
化学的特性
brown crystalline powder, grains, lumps or flakes
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (82.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (31%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 87 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: 2-ThiazolamineStatus: Active Update: 11-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/216532-Aminothiazole: Does not have an individual approval but may be used under an appropriate group standard |
| 火災危険 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include nausea, headache and weakness. It may also cause irritation.ACUTE/CHRONIC HAZARDS: This compound may be harmful by ingestion, inhalation or skin absorption. It may cause irritation. When heated to decomposition, it may emit toxic fumes of carbon monoxide, carbon dioxide, NOx and SOx. (NTP, 1992) |
| 反応性グループ | Amines, Phosphines, and PyridinesSulfides, Organic |
| Reactivity Profile | 2-AMINOTHIAZOLE reacts violently when nitrated with nitric or nitric-sulfuric acids. It is also incompatible with strong oxidizing agents, strong acids, acid chlorides and acid anhydrides. (NTP, 1992) |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Eye Irrit. 2A (82.8%)STOT SE 3 (31%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992) |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures and away from mineral acids and bases. (NTP, 1992) |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| F | 8-9 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | XJ2100000 |
| 毒性 | LD50 orally in Rabbit: 480 mg/kg |
| 税関コード | 29341000 |
| 危険文句（R） | 22-36-36/37-20/21/22 |
| 化審法 | (9)-79 |
| 危険表示 | Xn,Xi |
| hazard_note | Irritant |
| 安全措置（S） | 26-36/37-39-36 |
| 自然発火温度 | 600 °C |
| 危険等級 | Acute Tox. 4 Oral |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
2-Aminothiazole is a heterocyclic amine and is the beginning reagent for the synthesis of many pharmaceutical and agricultural related compounds.
一般的な説明
Light brown crystals or brown granular solid.
製法・合成法
純化方法
It crystallises from pet ether (b 100-120o), or EtOH. [Beilstein 27 III/IV 4574.]