N-(2-Hydroxyethyl)phthalimide
기본 정보
- CAS
3891-07-4- 표준 SMILES
O=C1c2ccccc2C(=O)N1CCO- InChIKey
MWFLUYFYHANMCM-UHFFFAOYSA-N- 분자식
- C10H9NO3
- 평균 분자량
- 191.18 g/mol
- 단동위원소 질량
- 191.05824315
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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 InformationREACH registered substance: N-(2-hydroxyethyl)phthalimide (EC: 223-434-4)
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
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.
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