基本情報
- CAS
17589-24-1- 標準SMILES
O=C=Nc1ccc(Cc2ccc(N3C(=O)N(c4ccc(Cc5ccc(N=C=O)cc5)cc4)C3=O)cc2)cc1- InChIKey
ARRNPOPZVLSDGB-UHFFFAOYSA-N- 分子式
- C30H20N4O4
- 平均分子量
- 500.5 g/mol
- 単同位体質量
- 500.14845513
名称と識別子
- 優先名称
- 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione
- IUPAC
- 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-1,3-diazetidine-2,4-dione
- 現地名
- 1,3-ビス[4-[(4-イソシアナトフェニル)メチル]フェニル]-1,3-ジアゼチジン-2,4-ジオン
- 英語名
- 2,4-dioxo-1,3-diazetidine-1,3-diylbis[p-phenylenemethylene-p-phenylene] diisocyanate
- 分子式
- C30H20N4O4
- 分子量
- 500.5
名称と別名
17589-24-11,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-EINECS 241-559-21,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione64LS3M957X1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-1,3-diazetidine-2,4-dioneDTXSID80662161,3-Diazetidine-2,4-dione, 1,3-bis(4-((4-isocyanatophenyl)methyl)phenyl)-2,4-Dioxo-1,3-diazetidine-1,3-diylbis(p-phenylenemethylene-p-phenylene) diisocyanate2,4-dioxo-1,3-diazetidine-1,3-diylbis[p-phenylenemethylene-p-phenylene] diisocyanate1,3-Bis{4-[(4-isocyanatophenyl)methyl]phenyl}-1,3-diazetidine-2,4-dioneRefChem:413981
名称をさらに表示
MDIダイマー1,3-ビス[4-[(4-イソシアナトフェニル)メチル]フェニル]-1,3-ジアゼチジン-2,4-ジオンビス({4-[(4-イソシアナトフェニル)メチル]フェニル})-1,3-ジアゼチジン-2,4-ジオン1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dion e
DTXCID4035590241-559-2ARRNPOPZVLSDGB-UHFFFAOYSA-NUNII-64LS3M957XSCHEMBL1850172DB-267509NS000197861,3-bis(4-(4-isocyanatobenzyl)phenyl)-1,3-diazetidine-2,4-dione
物性
構造計算による物性
- XLogP
- 8.1
- 極性表面積
- 99.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 8
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 834
物理化学的性質
- EPAの化学物質情報
- 1 · 1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]- (17589-24-1)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 191 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]
危険有害性情報
Regulatory Information
Chemical: 1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-
1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4- isocyanatophenyl)methyl]phenyl]-: 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.
Other Safety InformationIMAP assessments - 1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-: Environment tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute toxicity - category 2
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-: ACTIVE
サプライヤー1 社
HONEST JOY HOLDINGS LIMITED[email protected]
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