CAS 59834-05-8 4-(1,2,3-Thiadiazol-4-Yl)Phenol (HCID 2796860)

基本情報

CAS: 59834-05-8
標準SMILES: Oc1ccc(-c2csnn2)cc1
InChIKey: WZYGGUZFRLVCJT-UHFFFAOYSA-N
分子式: C8H6N2OS
平均分子量: 178.21 g/mol
単同位体質量: 178.02008399

名称と識別子

優先名称: 4-(1,2,3-Thiadiazol-4-Yl)Phenol
IUPAC: 4-(thiadiazol-4-yl)phenol
現地名: 4-(1,2,3-チアジアゾール-4-イル)フェノール
英語名: 4-(1,2,3-THIADIAZOL-4-YL)PHENOL
分子式: C8H6N2OS
分子量: 178.21

名称と別名

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

名称をさらに表示

4-(1,2,3-チアジアゾール-4-イル)フェノール4-(4-ヒドロキシフェニル)-1,2,3-チアジアゾール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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.1
極性表面積: 74.3 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 148

物理化学的性質

沸点: 105 · 105/0.75mm
外見: solid
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

化学的性質

化学的特性Yellow solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.