2-氨基噻唑

2-Aminothiazole

HCID 2155CAS 96-50-4

基本信息

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

名称与标识

首选名称
2-Aminothiazole
IUPAC
1,3-thiazol-2-amine
中文名
2-氨基噻唑
英文名
2-Aminothiazole
分子式
C3H4N2S
分子量
100.14

名称与别名

2-AMINOTHIAZOLEaminothiazole96-50-42-ThiazolamineAbadole2-ThiazolylamineAbadolBasedol2-Thiazylamine4-Thiazolin-2-onimineAminothiazolAminotiazol
展开更多名称
氨噻唑阿巴多2-胺噻唑2-噻唑胺间甲氧基甲酸2-氨基噻唑2-氨基噻唑*52-氨基噻唑/AR2-氨基噻唑,97%2-氨基噻唑(高毒)1,3-Thiazol-2-amine2-Amino-1,3-thiazolecp1585
Thiazole, 2-amino-AminothiazolumUSAF EK-P-5501RP 2921AminotiazoloDTXSID5024508NSC-19005K8WKN668K

数据库标识

CAS
96-50-4
PubChem CID
2155
DTXSID
DTXSID5024508
ChEMBL
CHEMBL344760
ChEBI
CHEBI:40782
UNII
5K8WKN668K
EC Number
202-511-6
Nikkaji
J3.972A

性质

结构计算性质

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

实验与物化性质

Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling PointDecomposes (NTP, 1992)
Melting Point194 °F (NTP, 1992)
Physical Description2-aminothiazole appears as light brown crystals or brown granular solid. (NTP, 1992)
Collision Cross Section · 2 条

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 Temperature212 °F after 3.5 hours (NTP, 1992)

物理化学性质

熔点
91 · 91-93 °C (lit.)
沸点
117 °C · 117 °C (15.002 mmHg)
堆积密度
600 kg/m3 · 600kg/m3
密度
1.241 · 1.241 (estimate)
蒸气压
1 hPa · <1 hPa (20 °C)
折射率
1.53 · 1.5300 (estimate)

化学性质

白色或浅黄色结晶。熔点93℃,沸点140℃(1.47kPa)。溶于热水,稀盐酸和20%硫酸中,微溶于冷水、乙醇和乙醚。

安全与法规

GHS分类

GHS Classification · 5 条

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.

危害信息

Regulatory Information · 3 条

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 HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1 条

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 GroupAmines, Phosphines, and Pyridines;Sulfides, Organic
Reactivity Profile2-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 ReactionsInsoluble in water.

安全与防护

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 条

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 · 1 条

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) · 1 条

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)

法规信息

Regulatory Information · 3 条

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

安全数据

F
8-9
wgk
3
tsca
TSCA listed
毒性
LD50 orally in Rabbit: 480 mg/kg
RTECS号
XJ2100000
hazard_note
Irritant

毒性防护

急性毒性口服-大鼠 LD50: 480 毫克/公斤; 腹腔-小鼠 LD50: 200 毫克/公斤

包装储运 · 4 条

爆炸物危险特性其硝酸混合物; 或其硝酸-硫酸混合物加热爆炸

可燃性危险特性可燃;高温产生有毒氮氧化物和硫氧化物烟雾

储运特性库房通风低温干燥; 与硝酸, 硫酸分开存放

灭火剂干粉、泡沫、砂土、二氧化碳, 雾状水

化学与工业

用途与制造

General Manufacturing Information2-Thiazolamine: ACTIVE
应用领域 · 5 条

应用2‑氨基噻唑是一种重要的精细化学品,广泛应用于各个领域,例如较为传统的应用是作为药物中间体合成具有药物或生理活性的抗癌药物;作为一种添加剂应用在PCB棕化液当中;作为偶合组分应用于偶氮染料中。

用途作医药中间体。用于有机合成。

用途2-氨基噻唑主要用于合成硝基磺胺噻唑(Nitrosulfathiazole)、磺胺噻唑(Sulfathiazole)、琥磺噻唑(Sulfasuxidinum)、马来酰磺胺噻唑(Carbothiazol)、酞磺胺噻唑(Phthalylsulfathiazole)、克泻磺(Oxyquinolinephthalysulfathiazole)、柳氮磺噻唑(Salazosulfathiazole

用途用于在超声辐射介导下与2-氯苯甲酸进行温和的Ulmann偶联反应

用途用作医药、染料中间体

制备方法

生产方法由硫脲与氯乙醛(或乙醇和氯气,或α,β二氯乙基乙醚)经环合而得。在反应器中加入热水、硫脲和α,β-二氯乙基乙醚。在搅拌下回流2h。冷却,经滴液漏斗加入氢氧化钠溶液,使溶液呈碱性,析出2-氨基噻唑晶体。然后加入乙醚使之溶解。分出醚层,用水洗涤后,以无水硫酸钠干燥,蒸出乙醚得粗品。用乙醇重结晶,得黄色晶体。产率为80%,熔点90℃。

试剂价格

HY-12396R · 10 mg
2-氨基噻唑Aminothiazole (Standard) — 300元
HY-12396R · 50 mg
2-氨基噻唑Aminothiazole (Standard) — 530元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州景优化工有限公司87211835 13957193240 · [email protected]

相关反应

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