5-(4-Bromophenyl)-5-methylimidazolidine-2,4-dione

HCID 233110

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基本情報

CAS: 6320-50-9
標準SMILES: CC1(c2ccc(Br)cc2)NC(=O)NC1=O
InChIKey: ZQUNVNMQLMHUDO-UHFFFAOYSA-N
分子式: C10H9BrN2O2
平均分子量: 269.09 g/mol
単同位体質量: 267.98474

名称と識別子

優先名称: 5-(4-Bromophenyl)-5-methylimidazolidine-2,4-dione
IUPAC: 5-(4-bromophenyl)-5-methylimidazolidine-2,4-dione
英語名: 5-(4-Bromophenyl)-5-methylimidazolidine-2,4-dione
分子式: C10H9BrN2O2
分子量: 269.09

名称と別名

5-(4-bromophenyl)-5-methylimidazolidine-2,4-dioneDTXSID00283396RefChem:530211DTXCID20234547101-528-56320-50-9MFCD004552525-(4-Bromo-phenyl)-5-methyl-imidazolidine-2,4-dione2,4-Imidazolidinedione, 5-(4-bromophenyl)-5-methyl-NSC31203SCHEMBL204119ZQUNVNMQLMHUDO-UHFFFAOYSA-N

名称をさらに表示

GAA32050NSC 31203NSC-31203AKOS000263574AKOS016843591BS-29195SY047982CS-0454400

データベース識別子

CAS: 6320-50-9
PubChem CID: 233110
DTXSID: DTXSID00283396
EC Number: 101-528-5
Nikkaji: J1.796.580H

物性

構造計算による物性

XLogP: 1.7
極性表面積: 58.2 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: 15
形式電荷: 0
複雑度: 300

物理化学的性質

融点: 268 · 268-269 °C
比重(密度): 1.559 · 1.559±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.53 · 8.53±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.