N-(4-エトキシフェニル)チオ尿素

4-Ethoxyphenylthiourea

HCID 853569CAS 880-29-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOc1ccc(NC(N)=S)cc1
InChIKey: QGLYTNIXHPCRCF-UHFFFAOYSA-N
分子式: C9H12N2OS
平均分子量: 196.27 g/mol
単同位体質量: 196.06703418

名称と識別子

優先名称: 4-Ethoxyphenylthiourea
IUPAC: (4-ethoxyphenyl)thiourea
現地名: N-(4-エトキシフェニル)チオ尿素
英語名: 1-(4-ETHOXYPHENYL)-2-THIOUREA
分子式: C9H12N2OS
分子量: 196.27

名称と別名

4-EthoxyphenylthioureaRefChem:522692212-912-8880-29-51-(4-ethoxyphenyl)thiourea(4-Ethoxyphenyl)thioureaN-(4-ethoxyphenyl)thiourea1-(4-Ethoxyphenyl)-2-thiourea(p-Ethoxyphenyl)thiourea4-Thioureidophenetolep-ETHOXYPHENYLTHIOUREAUrea, 1-(p-ethoxyphenyl)-2-thio-

名称をさらに表示

N-(4-エトキシフェニル)チオ尿素1-(p-エトキシフェニル)チオ尿素1-(4-エトキシフェニル)-2-チオ尿素(4-エトキシフェニル)チオ尿素AKOS BBS-00000711(4-ethoxyphenyl)-thioure1-(p-Ethoxyphenyl)thiourea

1-(p-Ethoxyphenyl)-2-thioureaNSC-31198Thiourea, (4-ethoxyphenyl)-Urea, 1-p-phenethyl-2-thio-amino[(4-ethoxyphenyl)amino]methane-1-thioneEINECS 212-912-8MFCD00039662(4-Ethoxy-phenyl)-thiourea

データベース識別子

CAS: 880-29-5
PubChem CID: 853569
DTXSID: DTXSID10236752
UNII: HD73V434V5
EC Number: 212-912-8
Nikkaji: J30.219H

物性

構造計算による物性

XLogP: 1.6
極性表面積: 79.4 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 167

物理化学的性質

融点: 173 °C · 173°C
沸点: 324.3 · 324.3±44.0 °C(Predicted)
比重(密度): 1.241 · 1.241±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 13.47 · 13.47±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

安全データ

ridadr: 2811
risk_code: 25
safety_code: 22-36/37/39
hazard_class: IRRITANT

化学と産業

上流・下流製品情報

下流製品

2-アミノ-6-エトキシベンゾチアゾール

サプライヤー26 社

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