ベンゾイル尿素

Benzoylurea

HCID 69190CAS 614-22-2

部分構造検索類似構造を探す

基本情報

標準SMILES: NC(=O)NC(=O)c1ccccc1
InChIKey: HRYILSDLIGTCOP-UHFFFAOYSA-N
分子式: C8H8N2O2
平均分子量: 164.16 g/mol
単同位体質量: 164.0585775

名称と識別子

優先名称: Benzoylurea
IUPAC: N-carbamoylbenzamide
現地名: ベンゾイル尿素
英語名: BENZOYLUREA
分子式: C8H8N2O2
分子量: 164.16

名称と別名

BenzoylureaN-carbamoylbenzamideN-BenzoylureaUrea, benzoyl-Benzoic acid, ureideBenzamide, N-(aminocarbonyl)-EINECS 210-372-8UE5G06JM9DNSC 402028BRN 2045538AI3-03751UNII-UE5G06JM9D

名称をさらに表示

ベンゾイル尿素ベンゾイルカルバミド1-ベンゾイル尿素N-ベンゾイル尿素N-(アミノカルボニル)ベンズアミドNSC402028ST5409882benzoyl-ureZINC00156273

NSC-402028CHEBI:39416DTXSID302103173-09-00-01115 (Beilstein Handbook Reference)RefChem:118817DTXCID30132808Benzamide, N-(aminocarbonyl)-(9CI)210-372-8

データベース識別子

CAS: 614-22-2
PubChem CID: 69190
DTXSID: DTXSID30210317
ChEBI: CHEBI:39416
UNII: UE5G06JM9D
EC Number: 210-372-8
Nikkaji: J95.770D

物性

構造計算による物性

XLogP: 1.2
極性表面積: 72.2 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: 12
形式電荷: 0
複雑度: 185

物理化学的性質

融点: 209 · 209-210°C
比重(密度): 1.257 · 1.257±0.06 g/cm3(Predicted)
外見: powder to crystal
酸解離定数(Pka): 10.79 · 10.79±0.46(Predicted)
色: White to Almost white
BRN: 2045538 · 2045538

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 40 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 (100%)；Eye Irrit. 2 (95%)

安全データ

rtecs: YR9070000
hs_code: 2924.21.4500
safety_code: 22-24/25

化学と産業

応用分野 · 1 件

説明Benzoylureas have some of the most unusual physical properties of any crop protection chemicals. They are all highly crystalline, lipophilic solids with high melting points. Consequently, they have extremely low vapor pressure, very low water-solubility, and their solubility in many organic solvents is also low.