N-Aminophthalimide (HCID 74645)

概要

structure in first source

名称と識別子

優先名称: N-Aminophthalimide
IUPAC: 2-aminoisoindole-1,3-dione
現地名: N-アミノフタルイミド
英語名: N-Aminophthalimide
分子式: C8H6N2O2
分子量: 162.15

名称と別名

N-aminophthalimide1875-48-5Phthalic acid, cyclic hydrazideDTXSID70172061RefChem:829031DTXCID2094552217-505-92-aminoisoindoline-1,3-dione2-Amino-1H-isoindole-1,3(2H)-dione2-aminoisoindole-1,3-dionePhthalimide, N-amino-1H-ISOINDOLE-1,3(2H)-DIONE, 2-AMINO-

名称をさらに表示

N-アミノフタルイミド2-アミノ-1H-イソインドール-1,3(2H)-ジオン2-アミノイソインドリン-1,3-ジオン2-アミノ-2H-イソインドール-1,3-ジオンフタルイミジルアミンN-アミノフタルイミド, 95%2-アミノ-1,3-ジヒドロ-2H-イソインドール-1,3-ジオン2-アミノ-2,3-ジヒドロ-1H-イソインドール-1,3-ジオン2-aminoisoindoline-1,3-dione 98%aminophthalimidePhthalimidylamineN-AminopthalimideAminophthalimidetechSPECS AQ-344/40414632N-Aminophthalimide >N-Aminophthalimide

Phthalhydrazide (VAN)N-AminophthalamideHydrazine, 1,1-phthaloyl-MFCD00005895Hydrazine, 1,1-(1,2-phenylenedicarbonyl)-NSC 91685NSC 407982Hydrazine,1-phthaloyl-

データベース識別子

CAS: 1875-48-5
PubChem CID: 74645
DTXSID: DTXSID70172061
EC Number: 217-505-9
Nikkaji: J126.330G

物性

構造計算による物性

XLogP: 0.6
極性表面積: 63.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 215

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Hydrazides

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 200 · 200-202 °C(lit.)
沸点: 288.82 °C · 288.82°C (rough estimate)
比重(密度): 1.3264 · 1.3264 (rough estimate)
屈折率: 1.577 · 1.5770 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 熱メタノールへの溶解度はほぼ透明。
酸解離定数(Pka): -1.73 · -1.73±0.20(Predicted)
外見: powder to crystal
色: White to Light yellow
BRN: 383756 · 383756
InChI: InChI=1S/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2
InChIKey: KSILMCDYDAKOJD-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1N
CAS データベース: 1875 · 1875-48-5(CAS DataBase Reference)

化学的性質

化学的特性white to off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, 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 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards Summary · 1 件

A skin and strong eye irritant; May cause skin and respiratory sensitization; [Sigma-Aldrich MSDS] Search for (1875-48-5[EC/RN Number]) AND (sensitizer OR sensitization OR allergic OR dermatitis): no results; [PubMed] See Phthalimide. See 1,2,3,6-Tetrahydrophthalimide, Folpet, and N-(Cyclohexylthio)phthalimide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 9
wgk: 3
hs_code: 29251900
risk_code: 36/37/38-42/43
hazard_code: Xn
safety_code: 22-26-36/37-45
Hazard Classifications: Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
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It is employed in the aziridination of chiral N-enoyl sultams. It is also used in the synthesis of n-phthalimidoaziridines

調製方法 · 1 件

純化方法The imide has been recrystallised from 96% EtOH (solubility is ~2% at boiling temperature) to form a yellow solution. It sublimes in vacuo at ca 150o. It solidifies after melting, and remelts at 338-341o (see phthalhydrazide in “Heterocyclic Compounds, Chapter 4”). [Beilstein 22/11 V 122.]