디에틸메틸리덴말로네이트

1,3-Diethyl 2-methylenepropanedioate

HCID 95118

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3377-20-6
표준 SMILES: C=C(C(=O)OCC)C(=O)OCC
InChIKey: BQHDXNZNSPVVKB-UHFFFAOYSA-N
분자식: C8H12O4
평균 분자량: 172.18 g/mol
단동위원소 질량: 172.07355886

이름 및 식별자

우선 이름: 1,3-Diethyl 2-methylenepropanedioate
IUPAC: diethyl 2-methylidenepropanedioate
현지명: 디에틸메틸리덴말로네이트
영어명: diethyl methylidenemalonate
분자식: C8H12O4
분자량: 172.18

이름 및 동의어

3377-20-6Diethyl methylidenemalonateDTXSID901033182DEMMRefChem:587122DTXCID2013807601,3-Diethyl 2-methylenepropanedioatediethyl 2-methylenemalonateDiethyl methylenemalonatediethyl 2-methylidenepropanedioatePropanedioic acid, methylene-, diethyl esterMFCD01756915

이름 더 보기

디에틸메틸리덴말로네이트SKL217diethyl methylidenepropanedioateDiethyl ethylene-1,1-dicarboxylateMethylenemalonic acid diethyl esterMethylenepropanedioic acid diethyl ester

Diethyl 2-Methylenemalonate (Stabilized with TBC, >85%)Propanedioic acid, 2-methylene-, 1,3-diethyl esterEthyl methylenemalonate1,1-DicarbethoxyetheneMethylene diethylmalonateDiethyl2-methylenemalonateBRN 1723773Malonic acid, methylene-, diethyl ester

데이터베이스 식별자

CAS: 3377-20-6
PubChem CID: 95118
DTXSID: DTXSID901033182
ChEMBL: CHEMBL1985058
EC Number: 815-045-9
Nikkaji: J121.398I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 12
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 135.5 · 135.5-136.5 °C(Solv: ethanol (64-17-5))
끓는 점: 210 °C · 210 °C
밀도: 1.052 g/cm3 · 1.052 g/cm3(Temp: 25 °C)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름(약간), 디클로로메탄(약간)에 용해됨
물리적 상태: 기름
색상: 연노랑
안정성: 감광성

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (95.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (95.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (95.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 23 reports by companies from 2 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.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1 (95.7%)；Skin Sens. 1 (95.7%)；Eye Dam. 1 (95.7%)

규제 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

안전 데이터

tsca: TSCA listed
독성: mouse,LD,intraperitoneal,> 500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 147, 1954.

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanedioic acid, 2-methylene-, 1,3-diethyl ester: ACTIVE

응용 분야

용도Diethyl 2-methylenemalonate could be a used reagent for synthesizing donor-acceptor cyclobutanes via copper acetate or iron trichloride catalyzed [2+2] cycloaddition.g