1,5,5-トリメチルヒダントイン

1,5,5-Trimethylimidazolidine-2,4-dione

HCID 81295

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6851-81-6
標準SMILES: CN1C(=O)NC(=O)C1(C)C
InChIKey: ZNYIPTYJBRGSSL-UHFFFAOYSA-N
分子式: C6H10N2O2
平均分子量: 142.16 g/mol
単同位体質量: 142.07422756

名称と識別子

優先名称: 1,5,5-Trimethylimidazolidine-2,4-dione
IUPAC: 1,5,5-trimethylimidazolidine-2,4-dione
現地名: 1,5,5-トリメチルヒダントイン
英語名: 1,5,5-TRIMETHYLHYDANTOIN
分子式: C6H10N2O2
分子量: 142.16

名称と別名

6851-81-61,5,5-Trimethylimidazolidine-2,4-dioneDTXSID40218642EINECS 229-945-9RefChem:417069DTXCID90141133229-945-91,5,5-TrimethylhydantoinMFCD000404391,5,5 trimethylhydantoin3,4,4-Trimethyl-2,5-dioxoimidazolidinetrimethylhydantoin

名称をさらに表示

1,5,5-トリメチルヒダントイン1-メチル-5,5-ジメチルヒダントイン1,5,5-トリメチルイミダゾリジン-2,4-ジオン1,5,5-Trimethylhydantoine1-Methyl-5,5-dimethylhydantoin1,5,5-TRIMETHYLHYDANTOIN, 99+%1,5,5-Trimethyl-2,4-imidazolidinedione1,5,5-Trimethylhydantoin, 10 mM in DMSO2,4-Imidazolidinedione, 1,5,5-trimethyl-

HMS1720F02CS-W013322HY-W012606T1739D925166HQ1,5,5-trimethyl-1,3-diazolidine-2,4-dioneHydantoin, 1,5,5-trimethyl-

データベース識別子

CAS: 6851-81-6
PubChem CID: 81295
DTXSID: DTXSID40218642
EC Number: 229-945-9
Nikkaji: J101.269J

物性

構造計算による物性

XLogP: -0.3
極性表面積: 49.4 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 198

物理化学的性質

融点: 161 · 161-164 °C (lit.)
沸点: 259.72 °C · 259.72°C (rough estimate)
比重(密度): 1.2298 · 1.2298 (rough estimate)
屈折率: 1.501 · 1.5010 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: soluble in Dimethylformamide
外見: powder to crystal
酸解離定数(Pka): 8.99 · 8.99±0.10(Predicted)
色: White to Almost white
InChI: InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)
InChIKey: ZNYIPTYJBRGSSL-UHFFFAOYSA-N
SMILES: C1(=O)N(C)C(C)(C)C(=O)N1
CAS データベース: 6851 · 6851-81-6(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

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 74 reports by companies from 7 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用1,5,5-Trimethylhydantoin (1,5,5-Trimethyl-imidazolidine-2,4-dione) may be used to synthesize 3-bromomethyl-1,5,5-trimethylimidazolid-ine-2,4-dione.

一般的な説明1,5,5-Trimethylhydantoin (TMH) is a 1,5,5-trisubstituted hydantoin. Its mass spectrum has been recorded and analyzed. The density of TMH is 1.1318g/ml at 25°C.