3,4-二氯-1,2,5-噻二唑

3,4-Dichloro-1,2,5-thiadiazole

HCID 79804CAS 5728-20-1

基本信息

标准SMILES
Clc1nsnc1Cl
InChIKey
YNZQOVYRCBAMEU-UHFFFAOYSA-N
分子式
C2Cl2N2S
平均分子量
155.01 g/mol
单同位素质量
153.9159246

名称与标识

首选名称
3,4-Dichloro-1,2,5-thiadiazole
IUPAC
3,4-dichloro-1,2,5-thiadiazole
中文名
3,4-二氯-1,2,5-噻二唑
英文名
3,4-Dichloro-1,2,5-thiadiazole
分子式
C2Cl2N2S
分子量
155.01

名称与别名

3,4-Dichloro-1,2,5-thiadiazole5728-20-11,2,5-Thiadiazole, 3,4-dichloro-EINECS 227-232-7DTXSID00205896AI3-61900RefChem:91012DTXCID30128387227-232-7JTIHIPQIYDEUNY-UHFFFAOYSA-NMFCD000100723,4-dichloro-[1,2,5]thiadiazole
展开更多名称
马来酸噻吗洛尔杂质233,4-二氯-1,2,5-噻二唑1,2,5-噻二唑,3,4-二氯-3,4-二氯-1,2,5-噻二唑,99%3,4-二氯-1,2,5-噻二唑(CAS号:5728-20-1)DCTDBB_SC-3458ZINC04529131258903_ALDRICH4ETHYL4AMINOBIPHENYL4'-Ethyl-4-biphenylamine3,4-Dichlor-1,2,5-thiadiazol,4-Dichloro-1,2,5-thiadiazole
SCHEMBL1679672AKOS005186885AS-13223CS-0071809D3547EN300-18669F14865F0001-1496

数据库标识

CAS
5728-20-1
PubChem CID
79804
DTXSID
DTXSID00205896
UNII
PE8RVW5SWM
EC Number
227-232-7
Nikkaji
J225.119A

性质

结构计算性质

XLogP
2.3
极性表面积
54 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
7

物理化学性质

熔点
82 · 82-83 °C
沸点
158 °C · 158 °C (lit.)
密度
1.648 g/mL · 1.648 g/mL at 25 °C (lit.)
折射率
1.561 · 1.561
闪点
100 °C · >100°C
储存条件
Keep in dark place,Sealed in dry,Room Temperature

化学性质

液体,沸点 158℃/101.32kPa,101-102℃/16.27kPa, 相对密度1.648,折光率 1.5610,吸湿。

安全与法规

GHS分类

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 10% (6 of 60) of reports.

Danger

H301 (15%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (81.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (11.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 6 of 60 reports by companies.;There are 10 notifications provided by 54 of 60 reports by companies with hazard statement code(s).;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 InformationStatus: Active Update: 17-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/18863
Hazard Classes and CategoriesAcute Tox. 3 (15%);Skin Irrit. 2 (83.3%);Eye Irrit. 2 (83.3%);STOT SE 3 (81.7%);Aquatic Chronic 3 (11.7%)

法规信息

Regulatory InformationStatus: Active Update: 17-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/18863

安全数据

wgk
2
包装类别
III
危险等级
6.1
存储类别
10 - Combustible liquids
安全说明
26-37/39
海关编码
29349990

化学与工业

应用领域 · 3 条

简介3,4-二氯-1,2,5-噻二唑是一种有机中间体,可由二氯乙二肟为原料关环得到。

用途噻吗心安的中间体。

用途用作噻吗心胺中间体

制备方法

制备在-25°C的氩气下,将 S2Cl2(0.64mL,8.00mmol)逐滴添加到二氯乙二肟(2.0mmol)和吡啶(0.80mL,10.0mmol)在无水乙腈(10mL)中的搅拌溶液中。在环境温度下搅拌混合物 1 小时。将混合物回流 4 小时,然后过滤。在减压下蒸发溶剂。使用柱色谱法(硅胶Merck 60,己烷/CH2Cl2 混合物)分离残余物得到3,4-二氯-1,2,5-噻二唑。

试剂价格

A11738 · 250g
3,4-二氯-1,2,5-噻二唑, 99%3,4-Dichloro-1,2,5-thiadiazole, 99% — 3404元
D3547 · 25G
3,4-二氯-1,2,5-噻二唑3,4-Dichloro-1,2,5-thiadiazole — 200元

供应商50 家

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]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

相关反应

25 条

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