CAS 80370-42-9 Ethyl 2-formyl-3-oxopropanoate (HCID 11029955)

기본 정보

CAS: 80370-42-9
표준 SMILES: CCOC(=O)C(C=O)C=O
InChIKey: HMFLBGNCDZYITR-UHFFFAOYSA-N
분자식: C6H8O4
평균 분자량: 144.12 g/mol
단동위원소 질량: 144.04225874

이름 및 식별자

우선 이름: Ethyl 2-formyl-3-oxopropanoate
IUPAC: ethyl 2-formyl-3-oxopropanoate
현지명: 프로판산,2-포르밀-3-옥소-,에틸에스테르
영어명: Propanoicacid,2-formyl-3-oxo-,ethylester
분자식: C6H8O4
분자량: 144.13

이름 및 동의어

80370-42-9ethyl 2-formyl-3-oxopropanoateDTXSID80452447RefChem:342831DTXCID70403266632-882-3Ethyl-2-formyl-3-oxopropionateEthyl 2-formyl 3-oxopropanoate2-FORMYL-3-OXO-PROPANOIC ACID ETHYL ESTEREthyl DiformylacetateMFCD11112084ethoxycarbonylmalonaldehyde

이름 더 보기

프로판산,2-포르밀-3-옥소-,에틸에스테르Regadenoson Impurity 9Regadenoson impurity FEthylDiformylacetate>Regadenoson Impurity N212-Formyl-3-oxopropionateEthyl-2-forMyl-3-oxopropi...

2-Formyl-3-oxopropanoic Acid Ethyl EsterEthyl 2-formyl-3-oxopropionate2-FORMYL-3-OXOPROPIONIC ACID ETHYL ESTER2-formyl-3-oxo-propionic acid ethyl esterFormyl-3-oxo-propionic acid ethyl esterE1128Propanoic acid, 2-formyl-3-oxo-, ethyl esterEthyl 2-formyl-3-oxo-propanoate

데이터베이스 식별자

CAS: 80370-42-9
PubChem CID: 11029955
DTXSID: DTXSID80452447
EC Number: 632-882-3
Nikkaji: J1.806.390E

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 60.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

물리화학적 성질

끓는 점: 32 °C/0.3mmHg · 32°C/0.3mmHg(lit.)
밀도: 1.143 · 1.143±0.06 g/cm3(Predicted)
굴절률: 1.471 to · 1.4710 to 1.4750
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 1.55 · 1.55±0.59(Predicted)
색상: 무색~담황색 투명
InChI: InChI=1S/C6H8O4/c1-2-10-6(9)5(3-7)4-8/h3-5H,2H2,1H3
InChIKey: HMFLBGNCDZYITR-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(C=O)C=O

화학적 성질

Propanoicacid,2-formyl-3-oxo-,ethylester is light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (11.4%)

안전 데이터

HS 번호: 2918300090

화학 및 산업

응용 분야

용도Propanoicacid,2-formyl-3-oxo-,ethylester is used cyclocondensation reactions for the the preparation of heterocyclic compounds such as polyfunctionally substituted pyridines.