아세틸포스폰산디에틸에스테르

Diethyl acetylphosphonate

HCID 522997CAS 919-19-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOP(=O)(OCC)C(C)=O
InChIKey: YOHJPFQGGNEGSE-UHFFFAOYSA-N
분자식: C6H13O4P
평균 분자량: 180.14 g/mol
단동위원소 질량: 180.05514553

이름 및 식별자

우선 이름: Diethyl acetylphosphonate
IUPAC: 1-diethoxyphosphorylethanone
현지명: 아세틸포스폰산디에틸에스테르
영어명: ACETYLPHOSPHONIC ACID DIETHYL ESTER
분자식: C6H13O4P
분자량: 180.14

이름 및 동의어

Diethyl acetylphosphonate919-19-7DTXSID50335132RefChem:587190DTXCID00286221670-926-3Acetylphosphonic Acid Diethyl Ester1-diethoxyphosphorylethanoneMFCD00015138DIETHYLACETYLPHOSPHONATEO,O-Diethyl acetylphosphonateSCHEMBL282713

이름 더 보기

아세틸포스폰산디에틸에스테르Diethyl Acetylphosphonate >ACETYLPHOSPHONIC ACID DIETHYL ESTER1-Oxoethylphosphonic acid diethyl esterPhosphonic acid, P-acetyl-, diethyl ester

1-(Diethoxyphosphinyl)ethanoneDiethyl (1-oxoethyl)phosphonateYOHJPFQGAAA91919Acetyl-phosphonic acid diethyl esterPhosphonic acid, acetyldiethyl esterAKOS006228182AS-60552

데이터베이스 식별자

CAS: 919-19-7
PubChem CID: 522997
DTXSID: DTXSID50335132
EC Number: 670-926-3
Nikkaji: J429.870E

물성

구조 계산 물성

XLogP: 0
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 11
형식 전하: 0
복잡도: 167

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 54 · 54-55°C 0,5mm
밀도: 1 · 1,11 g/cm3
굴절률: 1.421 · 1.4210-1.4240
InChI: InChI=1S/C6H13O4P/c1-4-9-11(8,6(3)7)10-5-2/h4-5H2,1-3H3
InChIKey: YOHJPFQGGNEGSE-UHFFFAOYSA-N
SMILES: P(C(C)=O)(=O)(OCC)OCC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.