Benzylurea (HCID 10853)

名称と識別子

優先名称: Benzylurea
IUPAC: benzylurea
現地名: ベンジル尿素
英語名: Benzylurea
分子式: C8H10N2O
分子量: 150.18

名称と別名

Benzylurea1-BenzylureaN-BenzylureaBenzylcarbamideUrea, (phenylmethyl)-PhenylmethylureaUREA, BENZYL-N-(Phenylmethyl)ureaEINECS 208-689-1BRN 2208083NSC 109103UNII-0K14I09J76

名称をさらに表示

ベンジル尿素N-ベンジル尿素1-ベンジル尿素ベンジルカルバミドbenzyl-ureAKOS B028826Benzylurea98%Benzylurea,93%Benzylurea >benzylcarbamide

AI3-61350BENZYLUREA [MI]0K14I09J76NSC-109103RJNJWHFSKNJCTB-UHFFFAOYSA-DTXSID10202078EC 208-689-14-12-00-02253 (Beilstein Handbook Reference)

データベース識別子

CAS: 538-32-9
PubChem CID: 10853
DTXSID: DTXSID10202078
ChEMBL: CHEMBL1878784
UNII: 0K14I09J76
EC Number: 208-689-1
Nikkaji: J83.757A

物性

構造計算による物性

XLogP: 0.7
極性表面積: 55.1 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 130

物理化学的性質

融点: 149 · 149-151 °C(lit.)
沸点: 271.72 °C · 271.72°C (rough estimate)
比重(密度): 1.1392 · 1.1392 (rough estimate)
屈折率: 1.618 · 1.6180 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 17 g/リットル · 17g/リットル
外見: 粉
酸解離定数(Pka): 14.18 · 14.18±0.50(Predicted)
色: ホワイトからオフホワイト
水溶解度: 水にわずかに溶ける。
Merck: 14 · 14,1147
BRN: 2208083 · 2208083
InChI: InChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
InChIKey: RJNJWHFSKNJCTB-UHFFFAOYSA-N
SMILES: N(CC1=CC=CC=C1)C(N)=O
LogP: 0.73 at · 0.73 at 20℃
CAS データベース: 538 · 538-32-9(CAS DataBase Reference)

化学的性質

化学的特性White to off-white powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.；There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).；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.