옥살산1-에틸에스테르

Monoethyl oxalate

HCID 74701

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 617-37-8
표준 SMILES: CCOC(=O)C(=O)O
InChIKey: JRMAQQQTXDJDNC-UHFFFAOYSA-N
분자식: C4H6O4
평균 분자량: 118.09 g/mol
단동위원소 질량: 118.02660867

이름 및 식별자

우선 이름: Monoethyl oxalate
IUPAC: 2-ethoxy-2-oxoacetic acid
현지명: 옥살산1-에틸에스테르
영어명: Oxalic acid 1-ethyl ester
분자식: C4H6O4
분자량: 118.09

이름 및 동의어

617-37-8Monoethyl oxalateRefChem:10898282-ethoxy-2-oxoacetic acidOxalic Acid Ethyl Esteroxalic acid 1-ethyl esterEthyl hydrogen oxalateOxalic acid monoethyl esterMFCD00785870Ethanedioic acid 1-ethyl esterOxalsaureathylesteroxalic acid monoethylester

이름 더 보기

옥살산1-에틸에스테르xalic acid 1-ethyl ester(ethoxycarbonyl)formic acidOxalic acid Monoethyl ester 98%Oxalic acid hydrogen ethyl esterEthanedioic acid, Monoethyl ester

2-ethoxy-2-oxoaceticacidEthoxy(oxo)acetic acid #CS-W018770SY257067C75898Ethoxy(oxo)acetic acidJVC79HNA2M2-ethoxy-2-oxo-acetic acid

데이터베이스 식별자

CAS: 617-37-8
PubChem CID: 74701
DTXSID: DTXSID00275731
UNII: JVC79HNA2M
EC Number: 624-672-5
Nikkaji: J21.757C

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 107

물리화학적 성질

녹는점: 195 °C · 195 °C (decomp)
끓는 점: 204.7 · 204.7±23.0 °C(Predicted)
밀도: 1.274 · 1.274±0.06 g/cm3(Predicted)
굴절률: 20 · n20/D1.424
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
용해도: soluble in DMSO, Ethyl Acetate
산도 계수 (pKa): 1.53 · 1.53±0.54(Predicted)
물리적 상태: 기름
색상: 연한 갈색
InChI: 1S/C4H6O4/c1-2-8-4(7)3(5)6/h2H2,1H3,(H,5,6)
InChIKey: JRMAQQQTXDJDNC-UHFFFAOYSA-N
SMILES: CCOC(=O)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P351+P338, P337+P317, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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 CategoriesEye Irrit. 2 (100%)；Resp. Sens. 1 (100%)

안전 데이터

wgk: WGK 3
risk_code: 36-43
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Eye Irrit. 2Resp. Sens. 1
스토리지 클래스: 12 - Non Combustible Liquids

화학 및 산업

응용 분야 · 1건

용도Oxalic Acid Ethyl Ester is a useful synthetic intermediate. It is used to synthesize 2-substituted 3-aryl-4(3H)-quinazolinones with anticonvulsant activities. It is also used to prepare nonbenzamidine tetrazole derivatives as factor Xa inhibitors.

공급사63 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

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