디메틸2-(2-메톡시페녹시)말로네이트

Dimethyl 2-(2-methoxyphenoxy)malonate

HCID 12967085

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 150726-89-9
표준 SMILES: COC(=O)C(Oc1ccccc1OC)C(=O)OC
InChIKey: SBUXKADXTZOBJV-UHFFFAOYSA-N
분자식: C12H14O6
평균 분자량: 254.24 g/mol
단동위원소 질량: 254.07903817

이름 및 식별자

우선 이름: Dimethyl 2-(2-methoxyphenoxy)malonate
IUPAC: dimethyl 2-(2-methoxyphenoxy)propanedioate
현지명: 디메틸2-(2-메톡시페녹시)말로네이트
영어명: Dimethyl 2-(2-methoxyphenoxy)malonate
분자식: C12H14O6
분자량: 254.24

이름 및 동의어

DIMETHYL 2-(2-METHOXYPHENOXY)MALONATEPropanedioic acid, 2-(2-methoxyphenoxy)-, 1,3-dimethyl esterRefChem:588146604-747-9150726-89-9DIMETHYL 2-METHOXYPHENOXYMALONATEMFCD06797652dimethyl 2-(2-methoxyphenoxy)propanedioatePropanedioic acid, (2-methoxyphenoxy)-, dimethyl esterSCHEMBL628822SCHEMBL29770500DTXSID80514170

이름 더 보기

디메틸2-(2-메톡시페녹시)말로네이트2-MethoxyphenoxyMalonateDimethyl-2-(2-methoxyphenoxy)malonate1,3-diMethyl 2-(2-Methoxyphenoxy)propanedioate2-(2-Methoxyphenoxy)malonic acid dimethyl ester(2-Methoxyphenoxy)-propanedioic Acid Dimethyl Ester2-methoxy-2-phenoxypropanedioic acid dimethyl esterTIANFUCHEM--150726-89-9--High purity Dimethyl 2-(2-methoxyphenoxy)malonate in stock

dimethyl (o-methoxyphenoxy)malonatedimethyl-(o-methoxyphenoxy)malonateCS-D1420dimethyl (2-methoxyphenoxy)malonatedimethyl-(2-methoxyphenoxy)malonateDiMethyl2-(2-methoxyphenoxy)malonatedimethyl-2-(o-methoxyphenoxy)malonateAKOS015851940

데이터베이스 식별자

CAS: 150726-89-9
PubChem CID: 12967085
DTXSID: DTXSID80514170
EC Number: 604-747-9

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 71.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 18
형식 전하: 0
복잡도: 274

물리화학적 성질

끓는 점: 320.5 · 320.5±27.0 °C(Predicted)
밀도: 1.206 · 1.206±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 디클로로메탄 또는 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 12.17 · 12.17±0.59(Predicted)
색상: 하얀색
InChI: InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3
InChIKey: SBUXKADXTZOBJV-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(OC1=CC=CC=C1OC)C(OC)=O

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (33.3%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.