CAS 883-44-3 2-(3-Hydroxypropyl)isoindoline-1,3-dione (HCID 70160)

名称と識別子

優先名称: 2-(3-Hydroxypropyl)isoindoline-1,3-dione
IUPAC: 2-(3-hydroxypropyl)isoindole-1,3-dione
現地名: 2-(3-ヒドロキシプロピル)-2H-イソインドール-1,3-ジオン
英語名: N-(3-Hydroxypropyl)phthalimide
分子式: C11H11NO3
分子量: 205.21

名称と別名

2-(3-Hydroxypropyl)isoindoline-1,3-dioneRefChem:826607883-44-3N-(3-Hydroxypropyl)phthalimide2-(3-hydroxypropyl)isoindole-1,3-dioneMFCD000230972-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(3-hydroxypropyl)-3-(phthalimido)-propanolUNII-X2TMC7E8YHX2TMC7E8YH2-(3-hydroxypropyl)-1H-isoindole-1,3(2H)-dione

名称をさらに表示

N-(3-ヒドロキシプロピル)フタルイミド2-(3-ヒドロキシプロピル)-1,3-ジヒドロ-2H-イソインドール-1,3-ジオン2-(3-ヒドロキシプロピル)-2H-イソインドール-1,3-ジオン2-(3-ヒドロキシプロピル)イソインドリン-1,3-ジオン2-(3-ヒドロキシプロピル)-1H-イソインドール-1,3(2H)-ジオン2-(3-ヒドロキシプロピル)-2,3-ジヒドロ-1H-イソインドール-1,3-ジオン3-フタルイミジル-1-プロパノールAURORA 47862-(3-Hydroxypropyl)3-PHTHALIMIDO-1-PROPANOLN-(3-Hydroxypropyl)phthaliMide 95%N-(3-Hydroxypropyl)phthalimide,99%N-(3-Hydroxypropyl) phthalimide-98%N-(3-HYDROXYPROPYL)PHTHALIMIDE, 95+%

SCHEMBL526807DTXSID40236942NSC-41174STK291435AKOS0021305452-(3-hydroxy-propyl)-isoindole-1,3-dioneSR-01000580138-1N-(3-Hydroxypropyl)-phthalimide

データベース識別子

CAS: 883-44-3
PubChem CID: 70160
DTXSID: DTXSID40236942
ChEBI: CHEBI:190836
UNII: X2TMC7E8YH
EC Number: 212-931-1
Nikkaji: J125.885K

物性

構造計算による物性

XLogP: 1.2
極性表面積: 57.6 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: 3
重原子数: 15
形式電荷: 0
複雑度: 253

物理化学的性質

融点: 74 · 74-76 °C (lit.)
沸点: 376.5 · 376.5±25.0 °C(Predicted)
比重(密度): 1.331 · 1.331±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 14.88 · 14.88±0.10(Predicted)
外見: 結晶性粉末
色: 白い
BRN: 158489 · 158489
InChI: 1S/C11H11NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,13H,3,6-7H2
InChIKey: BSMILTTURCQDGJ-UHFFFAOYSA-N
SMILES: OCCCN1C(=O)c2ccccc2C1=O
CAS データベース: 883 · 883-44-3(CAS DataBase Reference)

化学的性質

化学的特性White crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 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

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (33.3%)；Eye Irrit. 2A (33.3%)；STOT SE 3 (33.3%)

安全データ

wgk: 3
hs_code: 29251900
safety_code: 24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用N-(3-Hydroxypropyl)phthalimide was used as standard in the synthesis of phthalimide derivatives at high-temperature, high-pressure and H2O/EtOH mixtures as the solvent. It may be used in the synthesis of hydrophilic phosphorylcholine-containing polymer, poly-2-[3-(methacryloylamino)propylammonio] ethyl 3-aminopropyl phosphate.

一般的な説明N-(3-Hydroxypropyl)phthalimide is ω-Hydroxyalkylphthalimide and is prepared by mixing phthalic anhydride and propanolamine and by heating at 160-180 °C for 4 hours.