CAS 262609-07-4 Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl ester (HCID 2782662)

기본 정보

CAS: 262609-07-4
표준 SMILES: CCOC(=O)C(C(=O)OCC)c1c(F)cc(F)cc1F
InChIKey: VCCISIBKCNTCLR-UHFFFAOYSA-N
분자식: C13H13F3O4
평균 분자량: 290.23 g/mol
단동위원소 질량: 290.07659356

이름 및 식별자

우선 이름: Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl ester
IUPAC: diethyl 2-(2,4,6-trifluorophenyl)propanedioate
현지명: 디에틸2,4,6-트리플루오로페닐말로네이트
영어명: DIETHYL 2,4,6-TRIFLUOROPHENYL MALONATE
분자식: C13H13F3O4
분자량: 290.24

이름 및 동의어

Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl esterRefChem:868950607-899-4262609-07-4Diethyl (2,4,6-trifluorophenyl)malonateDiethyl 2-(2,4,6-trifluorophenyl)malonateDiethyl 2,4,6-trifluorophenyl malonateDiethyl 2-(2,4,6-trifluorophenyl)propanedioateMFCD040392101,3-diethyl 2-(2,4,6-trifluorophenyl)propanedioate2-(2,4,6-Trifluoro-phenyl)-malonic acid diethyl esterSCHEMBL1477896

이름 더 보기

디에틸2,4,6-트리플루오로페닐말로네이트2-(2,4,6-Trifluorophenyl)malonic acid diethyl esterDiethyl 2-(2,4,6-trifluorophenyl)propane-1,3-dioate2-(2,4,6-trifluorophenyl)propanedioic acid diethyl ester

DTXSID40382195VCCISIBKCNTCLR-UHFFFAOYSA-NDiethyl 2,4,6TrifluorophenylmalonateAKOS005254604Diethyl 2,4,6-trifluorophenylmalonatediethyl (2,4,6-trifluorophenyl)-malonateDB-067594Diethyl (2,4,6-trifluoro-phenyl)-malonate

데이터베이스 식별자

CAS

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 20
형식 전하: 0
복잡도: 321

물리화학적 성질

녹는점: 46 · 46-49℃

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.