1,3-디하이드로-1,3-디옥소-2H-이소인돌-2-프로피오닐클로라이드

1,3-dihydro-1,3-dioxo-2H-isoindole-2-propionyl chloride

HCID 86966

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17137-11-0
표준 SMILES: O=C(Cl)CCN1C(=O)c2ccccc2C1=O
InChIKey: ZEQHPUCQCWTFRP-UHFFFAOYSA-N
분자식: C11H8ClNO3
평균 분자량: 237.64 g/mol
단동위원소 질량: 237.0192708

이름 및 식별자

우선 이름: 1,3-dihydro-1,3-dioxo-2H-isoindole-2-propionyl chloride
IUPAC: 3-(1,3-dioxoisoindol-2-yl)propanoyl chloride
현지명: 1,3-디하이드로-1,3-디옥소-2H-이소인돌-2-프로피오닐클로라이드
영어명: 1,3-dihydro-1,3-dioxo-2H-isoindole-2-propionyl chloride
분자식: C11H8ClNO3
분자량: 237.64

이름 및 동의어

1,3-Dihydro-1,3-dioxo-2H-isoindole-2-propionyl chloride3-(1,3-dioxoisoindol-2-yl)propanoyl chlorideQ8D9N4EZF3EINECS 241-195-42h-isoindole-2-propanoyl chloride, 1,3-dihydro-1,3-dioxo-DTXSID301690731,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOLE-2-PROPANOYL CHLORIDERefChem:72673DTXCID0091564241-195-417137-11-03-(1,3-Dioxoisoindolin-2-yl)propanoyl chloride

이름 더 보기

1,3-디하이드로-1,3-디옥소-2H-이소인돌-2-프로피오닐클로라이드3-Phthalimidylpropanoic acid chloride1-(2-Phthalimidopropionyl)chloride - [P1001]3-(1,3-Dioxo-2-isoindolinyl)propanoyl Chloride

1-(2-Phthalimidopropionyl)chlorideMFCD000230953-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propionyl chloride3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl chloridebeta-phthalimidopropionic acid chloride3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl chloride3-Phthalimidopropanoyl Chloride (Technical Grade)3-Phthalimidopropionyl Chloride; 3-Phthalimidoylpropionyl Chloride; Phthaloyl-beta-alanyl Chloride; beta-Phthalimidopropionic Acid Chloride; 3-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)propionyl Chloride;3-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl Chloride

데이터베이스 식별자

CAS: 17137-11-0
PubChem CID: 86966
DTXSID: DTXSID30169073
UNII: Q8D9N4EZF3
EC Number: 241-195-4
Nikkaji: J307.695D

물성

구조 계산 물성

XLogP: 2
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 318

물리화학적 성질

녹는점: 107 · 107-108 °C
끓는 점: 369.3 · 369.3±25.0 °C(Predicted)
밀도: 1.438 · 1.438±0.06 g/cm3(Predicted)
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨, 초음파처리)
산도 계수 (pKa): -2.29 · -2.29±0.20(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
안정성: 수분에 민감한
InChI: 1S/C11H8ClNO3/c12-9(14)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4H,5-6H2
InChIKey: ZEQHPUCQCWTFRP-UHFFFAOYSA-N
SMILES: ClC(=O)CCN1C(=O)c2c(cccc2)C1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

ridadr: UN 2811 6.1 / PGIII
risk_code: 25
hazard_code: T
safety_code: 45
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects