4-(1,2,3-噻重氮-4-基)苯酚

4-(1,2,3-Thiadiazol-4-Yl)Phenol

HCID 2796860CAS 59834-05-8

子结构检索查找相似结构

基本信息

标准SMILES: Oc1ccc(-c2csnn2)cc1
InChIKey: WZYGGUZFRLVCJT-UHFFFAOYSA-N
分子式: C8H6N2OS
平均分子量: 178.21 g/mol
单同位素质量: 178.02008399

名称与标识

首选名称: 4-(1,2,3-Thiadiazol-4-Yl)Phenol
IUPAC: 4-(thiadiazol-4-yl)phenol
中文名: 4-(1,2,3-噻重氮-4-基)苯酚
英文名: 4-(1,2,3-THIADIAZOL-4-YL)PHENOL
分子式: C8H6N2OS
分子量: 178.21

名称与别名

4-(1,2,3-Thiadiazol-4-Yl)Phenol59834-05-8DTXSID90383859RefChem:286557DTXCID10334883674-370-24-(thiadiazol-4-yl)phenolMFCD000521064-(1,2,3-thiadiazol-4-yl)-phenolBionet2_000865SCHEMBL1673852WZYGGUZFRLVCJT-UHFFFAOYSA-N

展开更多名称

4-(1,2,3-三氮唑-4-)苯酚4-(1,2,3-噻二唑-4-基)苯酚4-(1,2,3-噻重氮-4-基)苯酚4-(4-thiadiazolyl)phenol4-(1,2,3-THIADIAZOL-4-YL)BENZENOLPhenol, 4-(1,2,3-thiadiazol-4-yl)-4-(1,2,3-Thiadiazol-4-yl)phenol 95+%4-(1,2,3-Thiadiazol-4-yl)phenol ,97%4-(4-HYDROXYPHENYL)-1,2,3-THIADIAZOLE

HMS1366H07JCA834054-[1,2,3]thiadiazol-4-yl-phenolSBB0793384-[1,2,3]-thiadiazol-4-yl-phenolAKOS0062294034-(4-hydroxyphenyl)1,2,3-thiadiazole4-(4-hydroxyphenyl)1,2,3-thia-diazole

数据库标识

CAS: 59834-05-8
PubChem CID: 2796860
DTXSID: DTXSID90383859
EC Number: 674-370-2
Nikkaji: J2.743.330H

性质

结构计算性质

XLogP: 2.1
极性表面积: 74.3 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 148

物理化学性质

沸点: 105 · 105/0.75mm
形态: solid
颜色: brown
InChI: 1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-12-10-9-8/h1-5,11H
InChIKey: WZYGGUZFRLVCJT-UHFFFAOYSA-N
SMILES: OC1=CC=C(C=C1)C2=CSN=N2

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 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.