基本情報
- 標準SMILES
O=C1N(CO)C2C(N1CO)N(CO)C(=O)N2CO- InChIKey
UUGLSEIATNSHRI-UHFFFAOYSA-N- 分子式
- C8H14N4O6
- 平均分子量
- 262.22 g/mol
- 単同位体質量
- 262.09133417
名称と識別子
- 優先名称
- Tetramethylolglycoluril
- IUPAC
- 1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
- 現地名
- 1,3,4,6-テトラキス(ヒドロキシメチル)-3,3a,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-2,5(1H,4H)-ジオン
- 英語名
- Tetramethylol acetylenediurea
- 分子式
- C8H14N4O6
- 分子量
- 262.22
名称と別名
名称をさらに表示
データベース識別子
- CAS
5395-50-6- PubChem CID
- 79372
- DTXSID
DTXSID8063830- UNII
- 3BH30G5P9H
- EC Number
- 226-408-0
- Nikkaji
- J217.947D
物性
構造計算による物性
- XLogP
- -2.1
- 極性表面積
- 128 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 303
物理化学的性質
- 融点
- 137 · 137-138 °C
- 沸点
- 624.2 · 624.2±55.0 °C(Predicted)
- 比重(密度)
- 1.697 · 1.697±0.06 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- クロロホルム (マイルド、超音波処理)、DMSO (マイルド)、メタノール (マイルド、超音波処理)
- 外見
- 個体
- 酸解離定数(Pka)
- 13.9 · 13.90±0.10(Predicted)
- 色
- ホワイトからオフホワイト
- 化粧品成分の機能
- 抗菌剤
- InChI
- InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2
- InChIKey
- UUGLSEIATNSHRI-UHFFFAOYSA-N
- SMILES
- C(N1C(N(C2N(C(N(C21)CO)=O)CO)CO)=O)O
- EPAの化学物質情報
- 4 · Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)- (5395-50-6)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (7 of 294) of reports.
Warning
H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 294 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
危険有害性情報
Regulatory Information
Chemical: Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)-
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 21-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23050
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Sens. 1 (97.6%)
Skin sensitisation - category 1
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
応用分野
使用Tetramethylol Acetylenediurea is a useful additive for forming etching patterns in semiconductor manufacturing.
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
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