N-ヒドロキシフタルイミド

N-Hydroxyphthalimide

HCID 10665CAS 524-38-9
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C1c2ccccc2C(=O)N1O
InChIKey
CFMZSMGAMPBRBE-UHFFFAOYSA-N
分子式
C8H5NO3
平均分子量
163.13 g/mol
単同位体質量
163.02694302

概要

causes contact dermititis

名称と識別子

優先名称
N-Hydroxyphthalimide
IUPAC
2-hydroxyisoindole-1,3-dione
現地名
N-ヒドロキシフタルイミド
英語名
N-Hydroxyphthalimide
分子式
C8H5NO3
分子量
163.13

名称と別名

N-HYDROXYPHTHALIMIDE524-38-92-Hydroxyphthalimide1H-Isoindole-1,3(2H)-dione, 2-hydroxy-Phthalimide, N-hydroxy-BXI99M81X0NSC-770F 802DTXSID7060170RefChem:830142DTXCID1041188208-358-1
名称をさらに表示
N-ヒドロキシフタルイミド2-ヒドロキシ-2H-イソインドール-1,3-ジオンフタルイミジルアルコール2-ヒドロキシ-1H-イソインドール-1,3(2H)-ジオンフタロキシム2-ヒドロキシイソインドリン-1,3-ジオンNハイドロキシフタルイミドN‐ヒドロキシフタルイミドnhpihydroxyphthalimideHOPHTN-Hydrophthalimide
2-hydroxyisoindoline-1,3-dione2-Hydroxy-1H-isoindole-1,3(2H)-dione2-hydroxyisoindole-1,3-dioneMFCD000058912-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione2-oxidanylisoindole-1,3-dioneCHEMBL2760572-hydroxy-isoindole-1,3-dione

データベース識別子

CAS
524-38-9
PubChem CID
10665
DTXSID
DTXSID7060170
ChEMBL
CHEMBL276057
UNII
BXI99M81X0
EC Number
208-358-1
Nikkaji
J26.847J

物性

構造計算による物性

XLogP
0.8
極性表面積
57.6 Ų
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

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionYellowish or colorless solid; [Merck Index] White or off-white crystalline powder; [Alfa Aesar MSDS]
Ionization Efficiency · 6 件

Negative

-0.43

10.5

Agilent XCT

Electrospray ionization

ammonia (10nM)

物理化学的性質

融点
233 °C · 233 °C (dec.) (lit.)
沸点
290.19 °C · 290.19°C (rough estimate)
比重(密度)
1.64 g/cm3 · 1.64 g/cm3
蒸気圧
0 Pa · 0Pa at 25℃
屈折率
1.551 · 1.5510 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性N-Hydroxyphthalimide is yellow moist powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

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

Aggregated GHS information provided per 152 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1H-Isoindole-1,3(2H)-dione, 2-hydroxy-

Status: Cease Manufacture Update: 24-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19261

1H-Isoindole-1,3(2H)-dione, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 178 mg/kg; [RTECS] Causes contact dermatitis. [ChemIDplus] A skin and strong eye irritant; [Alfa Aesar MSDS] See N-Aminophthalimide.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

安全データ

wgk
3
tsca
TSCA listed
rtecs
TI5200000
hs_code
29251995
risk_code
36/37/38
化審法
(5)-6724

化学と産業

用途と製造

UsesUsed as a catalyst for oxidation reactions; [Merck Index]
General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-hydroxy-: ACTIVE

応用分野

用途ペプチド合成時のC末端活性化剤。

使用N-Hydroxyphthalimide，additives in to DCC method of peptide synthesis used to improve yield of optically pure product.

調製方法 · 1 件

純化方法N -Hydroxyphthalimide [524-38-9] M 163.1, m 230o, ~235o(dec), 237-240o, 7.0. Dissolve the imide in H2O by adding Et3N to form the salt and while hot, acidify, cool and pour into a large volume of H2O. Filter off the solid, wash it with H2O and dry it over P2O5 in a vacuum. [Nefken & Teser J Am Chem Soc 83 1263 1961, Fieser 1 485 1976, Nefkens et al. Recl Trav Chim, Pays-Bas 81 683 1962] The O-acetyl derivative has m 178-180o (from EtOH). [Beilstein 21/11 V 100.]

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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