1-(4-フルオロフェニル)-2-チオ尿素

4-Fluorophenylthiourea

HCID 693061

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基本情報

CAS: 459-05-2
標準SMILES: NC(=S)Nc1ccc(F)cc1
InChIKey: BRWKXKNZRVALNZ-UHFFFAOYSA-N
分子式: C7H7FN2S
平均分子量: 170.21 g/mol
単同位体質量: 170.03139744

名称と識別子

優先名称: 4-Fluorophenylthiourea
IUPAC: (4-fluorophenyl)thiourea
現地名: 1-(4-フルオロフェニル)-2-チオ尿素
英語名: 1-(4-Fluorophenyl)-2-thiourea
分子式: C7H7FN2S
分子量: 170.21

名称と別名

4-fluorophenylthioureaN-(4-Fluorophenyl)thioureaRefChem:523466625-867-8459-05-21-(4-fluorophenyl)thiourea1-(4-Fluorophenyl)-2-thiourea(4-Fluorophenyl)thioureaMFCD00041180p-fluorophenylthioureaamino[(4-fluorophenyl)amino]methane-1-thioneThiourea, (4-fluorophenyl)-

名称をさらに表示

1-(4-フルオロフェニル)-2-チオ尿素(4-フルオロフェニル)チオ尿素4-フルオロフェニルチオ尿素N-(4-フルオロフェニル)チオ尿素N-(4-フルオロフェニル)チオ尿素, 99%1-(p-フルオロフェニル)チオ尿素N1-(4-フルオロフェニル)チオ尿素AURORA 23199AKOS BBS-000007211-(4-FLUOROPHENYL)-2LABOTEST-BB LT004543064fluorobenzenethiourea4-Fluorophenylthiourea,99%(4-Fluorophenyl)thiourea98%(4-Fluorophenyl)thiourea>

(4-fluoro-phenyl)-thiourea8P4(4-fluorophenyl)-thioureaSCHEMBL145719N-(4-Fluorophenyl)thiourea #SCHEMBL3114418SCHEMBL45017191-[p-Fluorophenyl]-2-thiourea

データベース識別子

CAS: 459-05-2
PubChem CID: 693061
DTXSID: DTXSID30351173
EC Number: 625-867-8
Nikkaji: J258.187F

物性

構造計算による物性

XLogP: 1.6
極性表面積: 70.1 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: 1
重原子数: 11
形式電荷: 0
複雑度: 143

物理化学的性質

融点: 163 · 163-167 °C(lit.)
沸点: 264.2 · 264.2±42.0 °C(Predicted)
比重(密度): 1.397 · 1.397±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 13.04 · 13.04±0.70(Predicted)
色: White to Almost white
BRN: 2803645 · 2803645
InChI: 1S/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey: BRWKXKNZRVALNZ-UHFFFAOYSA-N
SMILES: NC(=S)Nc1ccc(F)cc1
CAS データベース: 459 · 459-05-2(CAS DataBase Reference)

化学的性質

化学的特性white to off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (97.9%)

安全データ

wgk: 3
rtecs: YU1400000
ridadr: UN 2811 6.1/PG 3
hs_code: 29309090
risk_code: 25-36
hazard_code: T,Xi
hazard_note: Toxic
safety_code: 26-36
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects