CAS 516-12-1 N-Iodosuccinimide (HCID 120273)

名称と識別子

優先名称: N-Iodosuccinimide
IUPAC: 1-iodopyrrolidine-2,5-dione
現地名: N-ヨードこはく酸イミド
英語名: N-Iodosuccinimide
分子式: C4H4INO2
分子量: 224.98

名称と別名

N-Iodosuccinimide516-12-11-Iodopyrrolidine-2,5-dioneSucciniodimide2,5-Pyrrolidinedione, 1-iodo-1-iodo-2,5-pyrrolidinedione3COS3X3N4PCHEBI:53204DTXSID10199550RefChem:163587DTXCID70122041208-221-6

名称をさらに表示

N-ヨードこはく酸イミドスクシンヨードイミドN-ヨードスクシンイミド1-ヨード-2,5-ピロリジンジオン1-ヨードピロリジン-2,5-ジオンN-ヨドサクシンイミドN‐ヨ-ドスクシンイミドN‐ヨードスクシンイミドN-ヨードスクシンイミド, 97%IodosuccinimideN-lodosuccinimide1-iodo-5-pyrrolidinedioneN-iododiimideN-Iodouccinimide

N-Iodosuccinimide (NIS)C4H4INO2MFCD00005512Succinimide, N-iodo-NISUNII-3COS3X3N4PEINECS 208-221-62,5-Dioxo-1-iodopyrrolidine

データベース識別子

CAS: 516-12-1
PubChem CID: 120273
DTXSID: DTXSID10199550
ChEBI: CHEBI:53204
UNII: 3COS3X3N4P
EC Number: 208-221-6
Nikkaji: J6.303G

物性

構造計算による物性

XLogP: -0.2
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: 8
形式電荷: 0
複雑度: 129

物理化学的性質

融点: 202 · 202-206 °C(lit.)
沸点: 249.6 · 249.6±23.0 °C(Predicted)
比重(密度): 2 · 2,245 g/cm3
貯蔵温度: 2 · 2-8°C
溶解性: ジオキサン、テトラヒドロフラン、アセトニトリルに可溶。エーテル、四塩化炭素に不溶。
酸解離定数(Pka): -2.57 · -2.57±0.20(Predicted)
外見: 結晶性粉末
色: 白黄色から茶色
水溶解度: 分解する
Merck: 14 · 14,5045
BRN: 113917 · 113917
安定性: 湿気に敏感
InChI: 1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2
InChIKey: LQZMLBORDGWNPD-UHFFFAOYSA-N
SMILES: IN1C(=O)CCC1=O
CAS データベース: 516 · 516-12-1(CAS DataBase Reference)

化学的性質

化学的特性white-yellow to brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 8% (7 of 87) of reports.

Warning

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (90.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 87 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 7 of 87 reports by companies.；There are 17 notifications provided by 80 of 87 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 17-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/25034

2,5-Pyrrolidinedione, 1-iodo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (85.1%)；Skin Irrit. 2 (90.8%)；Eye Irrit. 2 (90.8%)；STOT SE 3 (87.4%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 17-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/25034

2,5-Pyrrolidinedione, 1-iodo-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 8-9
wgk: 3
tsca: No
rtecs: WN2817000
hs_code: 29251995
risk_code: 22-36/37/38
安衛法: 57,57-2
hazard_code: Xn,Xi
hazard_note: Harmful/Keep Cold/Moisture Sensitive
safety_code: 26-36-37/39
hazard_class: IRRITANT
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Muta. 2Skin Irrit. 2Skin Sens. 1B
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用N-Iodosuccinimide is a iodo substituted succinimide that is used as an iodinating agent in chemical synthesis.

調製方法 · 2 件

製造方法To a solution of 39.2g of succinimide in 1200ml of boiling water was added 51.0g of freshly precipitated silver oxide, the mixture was filtered and the silver salt was allowed to crystallize. Filtration and washing with cold water furnished 45.0g of the silver salt of succinimide suitable for the iodination step. The finely powdered salt (49.5g) was added in portions with stirring to a solution of 50.8g of iodine in 300ml of acetone, the temperature being maintained at 5-10°C. After decolorization (30 min.), the silver iodide was filtered, the solvent was removed under reduced pressure at room temperature and the residue was washed with ether, yielding 43g of N-iodosuccinimide with mp 189-191°C. An analytical sample (85% recovery) was obtained by dissolving in the minimum quantity of hot dioxane and precipitating with carbon tetrachloride; colorless needles, mp 200-201°C. Ref: JACS 75, 3493 (1953)

純化方法Crystallise it from dioxane/CCl4. It iodinates arenes in triflic acid. [Olah et al J Org Chem 58 3194 1993, Beilstein 21/9 V 544.]

上流・下流製品情報

上流原料

Diimine こはく酸イミド 1,4-ジオキサンヨードベンゼンジアセタートヨウ素ベンゼン

下流製品

2-クロロ-4-ニトロフェニル-Α-L-フコピラノシド 3,4‐ジメトキシ‐5‐ヨードベンズアルデヒド 5-ヨード-2,4-ジメトキシピリミジン 5-クロロ-3-ヨード-1H-ピラゾロ[4,3-B]ピリジン DBCO-NHSエステル 5-ブロモ-3-ヨード-1H-ピラゾロ[3,4-B]ピリジン Iodoferrocene 2-Amino-5-fluoro-3-iodo-benzoic acid methyl ester 2(1H)-Pyridinone, 6-amino-3-iodo-5-nitro-

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補足説明

定義ChEBI: N-iodosuccinimide is a five-membered cyclic dicarboximide compound having an iodo substituent on the nitrogen atom. It is a dicarboximide and a pyrrolidinone. It derives from a succinimide.

化合物ノート

読み込み中…

N-ヨードこはく酸イミド

基本情報