N-(2-Hydroxyethyl)phthalimide (HCID 77499)

개요

esters tested as molluscacides; RN given refers to parent cpd

이름 및 식별자

우선 이름: N-(2-Hydroxyethyl)phthalimide
IUPAC: 2-(2-hydroxyethyl)isoindole-1,3-dione
영어명: N-(2-Hydroxyethyl)phthalimide
분자식: C10H9NO3
분자량: 191.18

이름 및 동의어

N-(2-Hydroxyethyl)phthalimide3891-07-42-Phthalimidoethanol1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-2-HydroxyethylphthalimideNSC-2773NSC-5062461842K53O1DTXSID1063225N-[2-hydroxyethyl]phthalimide2-hydroxyethylphtalimideRefChem:825494

이름 더 보기

N-(2-Hydroxylethyl) PhthalimideAKOS BBS-00004429TIMTEC-BB SBB003638N-HydroxyethylphthalAmlodipine Impurity QAlogliptin impurity Q

DTXCID4039578223-434-42-(2-Hydroxyethyl)isoindoline-1,3-dioneN-Hydroxyethylphthalimide2-(2-hydroxyethyl)isoindole-1,3-dioneMFCD00005903Phthalimide, N-(2-hydroxyethyl)-2-(2-HYDROXYETHYL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE

데이터베이스 식별자

CAS: 3891-07-4
PubChem CID: 77499
DTXSID: DTXSID1063225
UNII: 61842K53O1
EC Number: 223-434-4
Nikkaji: J26.029K

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 240

물리화학적 성질

녹는점: 126 · 126-128 °C(lit.)
끓는 점: 326.92 °C · 326.92°C (rough estimate)
밀도: 1.2722 · 1.2722 (rough estimate)
굴절률: 1.531 · 1.5310 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): 14.4 · 14.40±0.10(Predicted)
색상: 하얀색
BRN: 147214 · 147214
InChI: InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2
InChIKey: MWFLUYFYHANMCM-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCO
NIST: -2 · N-2-hydroxyethyl phthalimide(3891-07-4)
EPA: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)- (3891-07-4)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (27.7%): 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 148 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21914

Hazard Classes and CategoriesSkin Irrit. 2 (27.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29251900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-26-36/37/39-24/25
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-: ACTIVE

응용 분야 · 2건

용도N-(2-Hydroxyethyl)phthalimide is used as a reagent to synthesize (-)-R-rolipram is a phosphodiesterase 4 inhibitor that is used to treat depression. N-(2-Hydroxyethyl)phthalimide is also used as a reagent to synthesize FR252921, a compound that acts as an immunosuppressant. Amlodipine Impurity 6

일반 설명N-(2-Hydroxyethyl)phthalimide is the precursor for chloromethyl ethers used in the synthesis of purine acyclic nucleosides.