에틸디아조아세토아세테이트

Ethyl diazoacetoacetate

HCID 538206

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2009-97-4
표준 SMILES: CCOC(=O)C(=[N+]=[N-])C(C)=O
InChIKey: JWTPSIXYXYNAOU-UHFFFAOYSA-N
분자식: C6H8N2O3
평균 분자량: 156.14 g/mol
단동위원소 질량: 156.05349212

이름 및 식별자

우선 이름: Ethyl diazoacetoacetate
IUPAC: ethyl 2-diazo-3-oxobutanoate
현지명: 에틸디아조아세토아세테이트
영어명: Ethyl diazoacetoacetate
분자식: C6H8N2O3
분자량: 156.14

이름 및 동의어

2009-97-4RefChem:596173626-053-5ETHYL DIAZOACETOACETATEethyl 2-diazo-3-oxobutanoateButanoic acid, 2-diazo-3-oxo-, ethyl esterEthyl 2-diazoacetoacetateMFCD090392642-diazo-3-oxo-butyric acid ethyl esterAcetoacetic acid, 2-diazo-, ethyl esterSCHEMBL962321ethyl 2-diazo-3-oxo-butanoate

이름 더 보기

에틸디아조아세토아세테이트2-Diazo-3-oxobutyric acid ethylazaylethylacetic acidethyl ester2-Diazoacetoacetic acid ethyl ester2-Diazo-3-oxobutyric acid ethyl ester3-Oxo-2-diazobutanoic acid ethyl ester2-Diazo-3-oxobutanoic acid ethyl esterEthyl 2-diazo-3-oxobutanoate - [DA7326]

SCHEMBL27894097AKOS015894398AS-75565SY067070CS-0226508EN300-56469E82520F647959

데이터베이스 식별자

CAS: 2009-97-4
PubChem CID: 538206
EC Number: 626-053-5
Nikkaji: J80.360J

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 45.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 228

물리화학적 성질

끓는 점: 102 · 102-103 °C(Press: 12 Torr)
밀도: 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
증기압: 0.36 psi · 0.36 psi ( 20 °C)
굴절률: 20 · n20/D 1.474(lit.)
인화점: 185 °F · 185 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: liquid
InChI: 1S/C6H8N2O3/c1-3-11-6(10)5(8-7)4(2)9/h3H2,1-2H3
InChIKey: JWTPSIXYXYNAOU-UHFFFAOYSA-N
SMILES: CCOC(=O)C(=[N+]=[N-])C(C)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29270000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Self-react. CSkin Irrit. 2STOT SE 3
스토리지 클래스: 5.2 - Organic peroxides and self-reacting hazardous materials

화학 및 산업

응용 분야

일반 설명Ethyl diazoacetoacetate is a diazo compound. It participates in Rh2(OAc)4-catalyzed reactions with arylalkylamines and diarylamines. Reaction of ethyl diazoacetoacetate with N-methyl pyrrole and pyrrole derivatives has been studied.

상·하류 제품 정보

하류 제품

ethyl 2-(2,5-difluoroanilino)-2-oxoacetate 에틸5-(TERT-부틸)-2-메틸-3-푸로에이트 에틸2,8-디메틸-4-옥소-4H-크로멘-3-카르복실레이트 5-메틸-1,2,3-티아디아졸-4-카르복실산에틸에스테르 7-클로로-3-메틸-벤조푸란-2-카르복실산에틸에스테르 4-니트로벤질2-디아조아세토아세테이트

공급사38 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]

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