2-(4-CHLORO-2-BUTENYL)-1,3-이소인돌린디온

2-((2E)-4-chlorobut-2-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione

HCID 5709374CAS 49705-66-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1c2ccccc2C(=O)N1C/C=C/CCl
InChIKey: VSGHWUAHVBTJIU-ONEGZZNKSA-N
분자식: C12H10ClNO2
평균 분자량: 235.66 g/mol
단동위원소 질량: 235.0400063

이름 및 식별자

우선 이름: 2-((2E)-4-chlorobut-2-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 2-[(E)-4-chlorobut-2-enyl]isoindole-1,3-dione
현지명: 2-(4-CHLORO-2-BUTENYL)-1,3-이소인돌린디온
영어명: 2-(4-CHLORO-2-BUTENYL)-1,3-ISOINDOLINEDIONE
분자식: C12H10ClNO2
분자량: 235.67

이름 및 동의어

49705-66-02-[(2E)-4-chlorobut-2-en-1-yl]-2,3-dihydro-1H-isoindole-1,3-dione2-((2E)-4-chlorobut-2-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:447874961-583-32-(4-chloro-2-butenyl)-1,3-isoindolinedione2-[(E)-4-chlorobut-2-enyl]isoindole-1,3-dione(E)-2-(4-Chloro-2-buten-1-yl)isoindoline-1,3-dione(E)-2-(4-Chlorobut-2-en-1-yl)isoindoline-1,3-dione84347-67-1MFCD00608158SCHEMBL643984

이름 더 보기

2-(4-CHLORO-2-BUTENYL)-1,3-이소인돌린디온TRANS-N-(4-CHLOROBUTENYL) PHTHALIMIDE1H-Isoindole-1,3(2H)-dione, 2-[(2E)-4-chloro-2-buten-1-yl]-

2-[(E)-4-chlorobut-2-enyl]isoindoline-1,3-dione2-(4-CHLORO-2-BUTENYL)-1,3-ISOINDOLINEDIONE, TECH GRADEVSGHWUAHVBTJIU-ONEGZZNKSA-NAC9132N-(trans-4-Chloro-2-butenyl)phthalimideSY261819N-[4-chloro(trans) 2-butenyl]phthalimideN-(trans-4-chloro-2-buten-1-yl)phthalimide

데이터베이스 식별자

CAS: 49705-66-0
PubChem CID: 5709374
EC Number: 961-583-3

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 303

물리화학적 성질

녹는점: 101 · 101-102 °C(Solvent: Acetone)
끓는 점: 374.158 · 374.158±35.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.323 · 1.323±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): -2.312 · -2.312±0.20(predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

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