Ethyl diazoacetate

Ethyl 2-diazoacetate · Diazoacetic acid ethyl ester · Daae · Diazoacetic ester · Ethyl diazoethanoate · Ethoxycarbonyldiazomethane · Ethyl diazoate · diazoaceticester

https://huagongshe.com/ko/chemical/12192

식별자 및 물리적 특성

CAS No.	623-73-4
분자식	C4H6N2O2
평균 분자량	114.1 g/mol
단동위원소 질량	114.04292744 g/mol
SMILES	CCOC(=O)C=[N+]=[N-]
InChIKey	YVPJCJLMRRTDMQ-UHFFFAOYSA-N
PubChem CID	12192
ChEMBL	CHEMBL4212182
EC No.	210-810-8

화학 및 물리적 성질

XLogP	0.7
극성 표면적	28.3
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	8
형식 전하	0
복잡도	126
밀도	1.085 @25 °C1.085 g/mL at 25 °C (lit.)
Physical Description	Yellow liquid with a pungent odor[Merck Index] Light to dark yellow liquid[Sigma-Aldrich MSDS]
녹는점	-22 °C (lit.)
끓는 점	140-141 °C/720 mmHg (lit.)
굴절률	n20/D 1.46(lit.)
인화점	115 °F
저장 조건	2-8°C
용해도	Chloroform (Slightly), DMSO (Soluble), Hexane (Slightly), Methanol (Slightly)
물리적 상태	기름
색상	연한 노란색에서 주황색까지
Merck	13,3021
BRN	107654
InChI	InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3
InChIKey	YVPJCJLMRRTDMQ-UHFFFAOYSA-N
SMILES	C(=O)(OCC)C=[N+]=[N-]
NIST	Ethyl diazoacetate(623-73-4)

화학적 성질

Liquid.

안전 및 규제

위험 문구(R)
GHS 분류	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 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.
규제 정보	Acetic acid, diazo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Highly volatile and explosive[Merck Index] May explode on heatingAn irritantMay cause nervous system disturbancesPossible carcinogen and mutagenTargets the liver and pancreasHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] See Diazodinitrophenol.
Hazard Classes and Categories	Flam. Liq. 3 (100%)Acute Tox. 4 (100%)
Protective Action Criteria (PAC)	1.2 [mg/m3]13 [mg/m3]79 [mg/m3]
유해 작용	Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
수질 위해 등급(WGK)	3
RTECS 번호	AG5775000
운송 번호(UN)	UN 1993 3/PG 3
관세 코드	29270000

용도

Reagent for ruthenium-catalyzed asymmetric cyclopropanation of alkenes.1