1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-

HCID 158651CAS 84478-41-1

기본 정보

표준 SMILES: O=C1C2=C(CCCC2)C(=O)N1c1cc(O)c(Cl)cc1F
InChIKey: CGWJDVCUCCBSNL-UHFFFAOYSA-N
분자식: C14H11ClFNO3
평균 분자량: 295.69 g/mol
단동위원소 질량: 295.04114911

이름 및 식별자

우선 이름: 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-
IUPAC: 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
영어명: 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-
분자식: C14H11ClFNO3
분자량: 295.69

이름 및 동의어

1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-84478-41-1DTXSID00233457RefChem:239321DTXCID00155948SCHEMBL5318626SCHEMBL5318631SCHEMBL30566778CGWJDVCUCCBSNL-UHFFFAOYSA-N2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dioneAKOS024343700N-(2-fluoro-4-chloro-5-hydroxyphenyl)-3,4,5,6-tetrahydrophthalimide

이름 더 보기

N-(2-fluoro-4-chloro-5-hydroxypheyl) 3,4,5,6-tetrahydrophthalimideN-(2-fluoro-4-chloro-5-hydroxypheyl)-3,4,5,6-tetrahydrophthalimideN-(4-chloro-2-fluoro-5-hydroxy-phenyl)-3,4,5,6-tetrahydrophthalimideN-(4-chloro-2-fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydrophthalimide2-(4-CHLORO-2-FLUORO-5-HYDROXY-PHENYL)-4,5,6,7-TETRAHYDRO-ISOINDOLE-1,3-DIONE2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione

데이터베이스 식별자

CAS: 84478-41-1
PubChem CID: 158651
DTXSID: DTXSID00233457
EC Number: 168-296-5
Nikkaji: J562.276J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 57.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 20
형식 전하: 0
복잡도: 465

물리화학적 성질

녹는점: 151 °C · 151 °C
끓는 점: 482.9 · 482.9±45.0 °C(Predicted)
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
산도 계수 (pKa): 8.13 · 8.13±0.23(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

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