3-ヒドロキシフェニル尿素

m-Hydroxyphenylurea

HCID 12796CAS 701-82-6

部分構造検索類似構造を探す

基本情報

標準SMILES: NC(=O)Nc1cccc(O)c1
InChIKey: IPRCBIWIPMJXIK-UHFFFAOYSA-N
分子式: C7H8N2O2
平均分子量: 152.15 g/mol
単同位体質量: 152.0585775

名称と識別子

優先名称: m-Hydroxyphenylurea
IUPAC: (3-hydroxyphenyl)urea
現地名: 3-ヒドロキシフェニル尿素
英語名: 3-HYDROXYPHENYLUREA
分子式: C7H8N2O2
分子量: 152.15

名称と別名

701-82-61-(3-Hydroxyphenyl)urea(3-Hydroxyphenyl)uream-Hydroxyphenylurea3-UreidophenolN-(3-Hydroxyphenyl)ureaUrea, (3-hydroxyphenyl)-Urea, (m-hydroxyphenyl)-Urea, N-(3-hydroxyphenyl)-QE8R3LQ24NNSC 60733EINECS 211-860-3

名称をさらに表示

3-ヒドロキシフェニル尿素m-ヒドロキシフェニル尿素m-ウレイドフェノールN-(3-ヒドロキシフェニル)尿素m-(カルバモイルアミノ)フェノール1-(3-ヒドロキシフェニル)尿素N-カルバモイル-3-アミノフェノールm-Ureidophenol3-HYDROXYPHENYLUREAM-HYDROXYPHENYL UREA(3-hydroxyphenyl)-ure3-Hydroxyphenylurea>N-(3-Hydroxyphenyl)urea

NSC 14672NSC-14672NSC-60733AI3-61347DTXSID1061027RefChem:800374DTXCID7046621Urea, (m-hydroxyphenyl)-(8CI)

データベース識別子

CAS: 701-82-6
PubChem CID: 12796
DTXSID: DTXSID1061027
ChEBI: CHEBI:229247
UNII: QE8R3LQ24N
EC Number: 211-860-3
Nikkaji: J64.493E

物性

構造計算による物性

XLogP: 0.2
極性表面積: 75.4 Å²
水素結合供与体数: 3
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: 149

物理化学的性質

融点: 182 · 182-184 °C(lit.)
沸点: 274.61 °C · 274.61°C (rough estimate)
比重(密度): 1.407 · 1.407
屈折率: 1.52 · 1.5200 (estimate)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 9.69 · 9.69±0.10(Predicted)
外見: powder to crystal
色: White to Orange to Green
CAS データベース: 701 · 701-82-6(CAS DataBase Reference)
EPAの化学物質情報: Urea, (3-hydroxyphenyl)- (701-82-6)

化学的性質

化学的特性beige fine crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 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

Regulatory InformationChemical: Urea, (3-hydroxyphenyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

法規制情報

Regulatory InformationChemical: Urea, (3-hydroxyphenyl)-

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29242100
risk_code: 36/37/38
化審法: (3)-2192
hazard_code: Xi
safety_code: 26-37/39

化学と産業

用途と製造

General Manufacturing InformationUrea, N-(3-hydroxyphenyl)-: INACTIVE

応用分野

用途有機合成原料。

上流・下流製品情報

上流原料

3-アミノフェノール塩酸塩 3-ヒドロキシ安息香酸水和物シアン酸ナトリウム 3-アミノフェノールカリウムシアナート

サプライヤー49 社

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