2-(1,3-디옥소이소인돌린-2-일)아세토니트릴

N-(Cyanomethyl)-phthalimide

HCID 345881

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3842-20-4
표준 SMILES: N#CCN1C(=O)c2ccccc2C1=O
InChIKey: KJTIDLYAIIARFO-UHFFFAOYSA-N
분자식: C10H6N2O2
평균 분자량: 186.17 g/mol
단동위원소 질량: 186.04292744

이름 및 식별자

우선 이름: N-(Cyanomethyl)-phthalimide
IUPAC: 2-(1,3-dioxoisoindol-2-yl)acetonitrile
현지명: 2-(1,3-디옥소이소인돌린-2-일)아세토니트릴
영어명: 2-(1,3-dioxoisoindolin-2-yl)acetonitrile
분자식: C10H6N2O2
분자량: 186.17

이름 및 동의어

N-(CYANOMETHYL)-PHTHALIMIDERefChem:828405653-801-83842-20-42-(1,3-dioxoisoindolin-2-yl)acetonitrile(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile2-(1,3-dioxoisoindol-2-yl)acetonitrileMFCD000873622-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetonitrile2H-Isoindole-2-acetonitrile, 1,3-dihydro-1,3-dioxo-N-(cyanomethyl)phthalimide2-(1,3-dioxobenzo[c]azolidin-2-yl)ethanenitrile

이름 더 보기

2-(1,3-디옥소이소인돌린-2-일)아세토니트릴2-(1,3-dioxo-2-isoindolyl)acetonitrile2-(1,3-dioxoisoindol-2-yl)ethanenitrile2-(1,3-dioxo-2-isoindolinyl)acetonitrile2-(1,3-diketoisoindolin-2-yl)acetonitrile

N-Cyanomethyl phthalimideNSC403772phthalimidoacetonitrile2-PhthalimidoacetonitrileN-(CYANOMETHYL)-POprea1_305106SCHEMBL1357288SCHEMBL29842458

데이터베이스 식별자

CAS: 3842-20-4
PubChem CID: 345881
DTXSID: DTXSID30323370
EC Number: 653-801-8
Nikkaji: J1.495.461I

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 61.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 304

물리화학적 성질

녹는점: 124 · 124-125 °C(Solv: acetic acid (64-19-7))
끓는 점: 361.4 · 361.4±25.0 °C(Predicted)
밀도: 1.394 · 1.394±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): -2.72 · -2.72±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.