3,4-ジブロモ-1-メチル-1H-ピロール-2,5-ジオン

2,3-Dibromo-N-methylmaleimide

HCID 18155CAS 3005-27-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CN1C(=O)C(Br)=C(Br)C1=O
InChIKey: CKITYUQKOJMMOI-UHFFFAOYSA-N
分子式: C5H3Br2NO2
平均分子量: 268.89 g/mol
単同位体質量: 266.85305254

名称と識別子

優先名称: 2,3-Dibromo-N-methylmaleimide
IUPAC: 3,4-dibromo-1-methylpyrrole-2,5-dione
現地名: 3,4-ジブロモ-1-メチル-1H-ピロール-2,5-ジオン
英語名: 2,3-Dibromo-N-methylmaleimide
分子式: C5H3Br2NO2
分子量: 268.89

名称と別名

2,3-Dibromo-N-methylmaleimideRefChem:441983625-814-93005-27-4N-Methyl-2,3-dibromomaleimide3,4-dibromo-1-methylpyrrole-2,5-dioneN-Methyl-dibromomaleinimideMALEIMIDE, DIBROMO-N-METHYL-3,4-dibromo-1-methyl-2,5-dihydro-1H-pyrrole-2,5-dione3,4-Dibromo-1-methyl-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 3,4-dibromo-1-methyl-Maleimide, 2,3-dibromo-N-methyl-

名称をさらに表示

N-メチル-2,3-ジブロモマレインイミド3,4-ジブロモ-1-メチル-1H-ピロール-2,5-ジオン1-メチル-3,4-ジブロモ-2,5-ジヒドロ-1H-ピロール-2,5-ジオン1-メチル-3,4-ジブロモ-3-ピロリン-2,5-ジオン1-メチル-3,4-ジブロモ-1H-ピロール-2,5-ジオン2,3-ジブロモ-N-メチルマレイミド臭化物2,3-ジブロモ-N-メチルマレイミド3,4-ジブロモ-1-メチル-2,5-ジヒドロ-1H-ピロール-2,5-ジオン3,4-dibromo-1-methyl-pyrrole-2,5-dioneSKL607dibromo-n-methyl-maleimidN-METHYLDIBROMOMALEINIMIDE2,3-DibroMo-N-MethylMaleiMide 99%

MFCD00102284NSC 120444BRN 01291493,4-Dibromo-N-methylmaleimideDibromo-N-methylmaleimideV5U5TK6UT53,4-Dibromo-N-methylpyrrole-2,5-dione5-21-10-00050 (Beilstein Handbook Reference)

データベース識別子

CAS: 3005-27-4
PubChem CID: 18155
DTXSID: DTXSID10184108
UNII: V5U5TK6UT5
EC Number: 625-814-9
Nikkaji: J171.280B

物性

構造計算による物性

XLogP: 1.3
極性表面積: 37.4 Å²
水素結合供与体数: 0
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: 222

物理化学的性質

融点: 120 · 120-124 °C (lit.)
沸点: 105 °C · 105°C (rough estimate)
比重(密度): 2.2935 · 2.2935 (rough estimate)
屈折率: 1.64 · 1.6400 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): -6.23 · -6.23±0.60(Predicted)
InChI: 1S/C5H3Br2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3
InChIKey: CKITYUQKOJMMOI-UHFFFAOYSA-N
SMILES: CN1C(=O)C(Br)=C(Br)C1=O
CAS データベース: 3005 · 3005-27-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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 CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
rtecs: ON5125000
hs_code: 2933998090
risk_code: 22
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用2,3-Dibromo-N-methylmaleimide can be used to synthesize bis-indolylmaleimides via reaction with indolyl magnesium bromide. It can also undergo mono-cross coupling with triorganoindium derivatives which can be further coupled with naphthodithiophene to form an intermediate for [5]thiahelicene synthesis.