1,1'-(4-メチル-1,3-フェニレン)ビス(1H-ピロール-2,5-ジオン)

1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-

HCID 80893CAS 6422-83-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(N2C(=O)C=CC2=O)cc1N1C(=O)C=CC1=O
InChIKey: FJKKJQRXSPFNPM-UHFFFAOYSA-N
分子式: C15H10N2O4
平均分子量: 282.25 g/mol
単同位体質量: 282.0640568

名称と識別子

優先名称: 1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-
IUPAC: 1-[3-(2,5-dioxopyrrol-1-yl)-4-methylphenyl]pyrrole-2,5-dione
現地名: 1,1'-(4-メチル-1,3-フェニレン)ビス(1H-ピロール-2,5-ジオン)
英語名: N,N'-(4-Methyl-1,3-phenylene)bismaleimide
分子式: C15H10N2O4
分子量: 282.25

名称と別名

6422-83-92,4-Bismaleimidotoluenen,n'-(4-methyl-1,3-phenylene)bismaleimide1,1'-(4-Methyl-1,3-phenylene)bis-1H-pyrrole-2,5-dione2,4-DimaleimidotolueneToluene-2,4-bismaleimideBismaleimide, 2,4-toluene2,4-Tolylenebis(maleimide)N,N'-2,4-Toluenebismaleimide1,3-Bismaleimide-4-methylbenzeneEINECS 229-175-31H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-

名称をさらに表示

N,N'-(4-メチル-1,3-フェニレン)ビス(マレインイミド)2,4-ビスマレイミドトルエンN,N'-(トルエン-2,4-ジイル)ビス(マレインイミド)N,N'-(4-メチル-m-フェニレン)ジマレインイミド1,1'-(4-メチル-1,3-フェニレン)ビス(1H-ピロール-2,5-ジオン)TOLUENEDIAMINEBISMALEIMIDEn,n’-2,4-toluenebismaleimide

BRN 1544474AI3-51358Maleimide, N,N'-(4-methyl-m-phenylene)di-RefChem:439187229-175-3TOLUENE-2,4-DIMALEIMIDE1-[3-(2,5-dioxopyrrol-1-yl)-4-methylphenyl]pyrrole-2,5-dione1,1'-(4-Methyl-1,3-phenylene)bis(1H-pyrrole-2,5-dione)

データベース識別子

CAS: 6422-83-9
PubChem CID: 80893
DTXSID: DTXSID6052326
ChEMBL: CHEMBL4559218
UNII: 8W8HD77SDP
EC Number: 229-175-3
Nikkaji: J207.036G

物性

構造計算による物性

XLogP: 0.5
極性表面積: 74.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 21
形式電荷: 0
複雑度: 556

実験および物理化学的性質

Collision Cross Section163.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6052326]

物理化学的性質

沸点: 424.87 °C · 424.87°C (rough estimate)
比重(密度): 1.2683 · 1.2683 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.5906 · 1.5906 (estimate)
酸解離定数(Pka): -1.29 · -1.29±0.20(Predicted)
水溶解度: 60 mg/L · 60mg/L at 20℃
LogP: -0.004 at · -0.004 at 25℃
EPAの化学物質情報: 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis- (6422-83-9)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H315 (93%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

危険有害性情報

Regulatory Information · 2 件

Chemical: 1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-

Status: Active Update: 13-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24680

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (93%)

Acute toxicity - category 2

安全データ

tsca: TSCA listed
ridadr: 2811
risk_code: 26-36/37/38
hazard_code: T+
safety_code: 22-26-36/37/39-45
hazard_class: 6.1(a)
packing_group: I

化学と産業

用途と製造

General Manufacturing Information1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis-: ACTIVE

サプライヤー22 社

上海合玖化学有限公司21-64171223 15216718324 · [email protected]

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

湖北兴琰新材料科技有限公司13129948835 · [email protected]

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