Dimethyl methoxymethylenemalonate (HCID 90770)

이름 및 식별자

우선 이름: Dimethyl methoxymethylenemalonate
IUPAC: dimethyl 2-(methoxymethylidene)propanedioate
영어명: Dimethyl methoxymethylenemalonate
분자식: C7H10O5
분자량: 174.15

이름 및 동의어

Dimethyl methoxymethylenemalonateEINECS 244-957-4NSC 131266DTXSID90176925RefChem:588284DTXCID3099416244-957-422398-14-7Dimethyl 2-(methoxymethylene)malonate1,3-dimethyl 2-(methoxymethylidene)propanedioatedimethyl 2-(methoxymethylidene)propanedioateMFCD00038225

이름 더 보기

MMMMDimethyl 2-(methoxymethylene)DimethylmethoxymethylenmalonatDimethylMethoxymethylenemalonate>Dimethyl methoxymethylenemalonate, 98+%thyl 2-(methoxymethylidene)propanedioateimethyl2-(methoxymethylidene)propanedioate

dimethyl (methoxymethylidene)propanedioateSCHEMBL166090dimethyl methoxymethylenepropanedioatedimethyl methoxymethylene-propanedioateEN300-67321Methoxymethylenemalonic Acid Dimethyl EsterAMY14316Propanedioic acid, (methoxymethylene)-, dimethyl ester

데이터베이스 식별자

CAS: 22398-14-7
PubChem CID: 90770
DTXSID: DTXSID90176925
EC Number: 244-957-4
Nikkaji: J41.171J

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 40 · 40-44 °C
끓는 점: 98 °C · 98 °C (0.5 mmHg)
밀도: 1.2311 · 1.2311 (rough estimate)
굴절률: 1.439 · 1.4390 (estimate)
인화점: 158 °C · 158 °C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정질 고체
색상: 하얀색
InChI: InChI=1S/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3
InChIKey: RHFZTBSULNJWEI-UHFFFAOYSA-N
SMILES: C(OC)(=O)/C(=C\OC)/C(OC)=O

화학적 성질

white crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (66.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)

안전 데이터

HS 번호: 29171990
risk_code: 43-36/38-22
hazard_code: Xn
safety_code: 37/39-26-24

화학 및 산업

응용 분야 · 1건

용도Dimethyl 2-(Methoxymethylene)malonate is a useful synthetic intermediate. It is used in preparation of (phenoxyethoxy)quinolones with antimalarial activities. It is also a reagent used in the synthesis of bicyclic pyridones prepn. as oral selective CB2 agonists with anti-pruritic activity.