2-Aminothiazole 分子结构式
HCID2155

2-Aminothiazole

1,3-thiazol-2-amine

C3H4N2S100.14 g/molCAS 96-50-4

IDENTITY

结构与身份

标准SMILES
Nc1nccs1
InChIKey
RAIPHJJURHTUIC-UHFFFAOYSA-N
分子式
C3H4N2S
平均分子量
100.14 g/mol
单同位素质量
100.00951931

COMPUTED

结构计算性质

已同步
XLogP
0.4
极性表面积
67.2 Ų
氢键供体
1
氢键受体
3
可旋转键
0
重原子
6
形式电荷
0
复杂度
48

PROPERTIES

实验与物化性质

来源:PubChem
Solubility

less than 1 mg/mL at 68 °F (NTP, 1992)

Boiling Point

Decomposes (NTP, 1992)

Melting Point

194 °F (NTP, 1992)

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: TW; Method: calibrated with polyalanine and drug standards]

141.48 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];114.58 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Autoignition Temperature

212 °F after 3.5 hours (NTP, 1992)

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (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 exposure; Respiratory 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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: 2-Thiazolamine

Status: Active Update: 11-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21653

2-Aminothiazole: Does not have an individual approval but may be used under an appropriate group standard

Fire Hazards

Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)

Health Hazards

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)

Reactive Group

Amines, Phosphines, and Pyridines;Sulfides, 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%)

SAFETY

安全与防护

来源:PubChem
Fire Fighting

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid

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 area; take 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 used; if 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)

Nonfire Spill Response

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)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: 2-Thiazolamine

Status: Active Update: 11-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21653

2-Aminothiazole: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源:PubChem
General Manufacturing Information

2-Thiazolamine: ACTIVE

ALIASES

名称与别名

共 159 条
2-AMINOTHIAZOLEaminothiazole96-50-42-ThiazolamineAbadole2-ThiazolylamineAbadolBasedol2-Thiazylamine4-Thiazolin-2-onimineAminothiazolAminotiazolThiazole, 2-amino-AminothiazolumUSAF EK-P-5501RP 2921AminotiazoloDTXSID5024508NSC-19005K8WKN668K

REACTIONS

参与反应

1,965
HRID 5149 反应方程式

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05243055

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HRID 7510 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087607B2

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HRID 7528 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087607B2

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HRID 14989 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732440B2

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HRID 20487 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745475B2

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HRID 20600 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745475B2

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HRID 20602 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745475B2

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HRID 26885 反应方程式

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

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