에틸디메틸포스포노아세테이트

Ethyl (dimethoxyphosphinoyl)acetate

HCID 67555CAS 311-46-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CP(=O)(OC)OC
InChIKey: HUNISAHOCCASGM-UHFFFAOYSA-N
분자식: C6H13O5P
평균 분자량: 196.14 g/mol
단동위원소 질량: 196.05006015

이름 및 식별자

우선 이름: Ethyl (dimethoxyphosphinoyl)acetate
IUPAC: ethyl 2-dimethoxyphosphorylacetate
현지명: 에틸디메틸포스포노아세테이트
영어명: Ethyl dimethylphosphonoacetate
분자식: C6H13O5P
분자량: 196.14

이름 및 동의어

311-46-6Ethyl (dimethoxyphosphinoyl)acetateEINECS 206-222-6DTXSID00185043RefChem:593145DTXCID10107534206-222-6Ethyl dimethylphosphonoacetateethyl 2-(dimethoxyphosphoryl)acetateethyl 2-dimethoxyphosphorylacetateMFCD00015677Acetic acid, 2-(dimethoxyphosphinyl)-, ethyl ester

이름 더 보기

에틸디메틸포스포노아세테이트Ethyl 2-(dimethoxyphosphoryl)DimethylEthylphosphonoacetateEthylDimethylphosphonoacetate>Dimethyl ethyl phosphonylacetateETHYL DIMETHYLPHOSPHONOACETATE 98%ethyl 2-dimethoxyphosphorylethanoateEthyl 2-(dimethoxyphosphinyl)acetate

Ethyl (dimethoxyphosphoryl)acetateAcetic acid, (dimethoxyphosphinyl)-, ethyl esterXGA6D2ZB8QDIMETHYL(ETHOXYCARBONYLMETHYL)PHOSPHONATEethyl dimethyl phosphonoacetateethyl(dimethylphosphono)acetateSCHEMBL639641HUNISAHOCCASGM-UHFFFAOYSA-

데이터베이스 식별자

CAS: 311-46-6
PubChem CID: 67555
DTXSID: DTXSID00185043
UNII: XGA6D2ZB8Q
EC Number: 206-222-6
Nikkaji: J193.727H

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 12
형식 전하: 0
복잡도: 182

물리화학적 성질

끓는 점: 134 °C10 · 134 °C10 mm Hg(lit.)
밀도: 1.188 g/mL · 1.188 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.435(lit.)
인화점: 99 °C · 99 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 1777603 · 1777603
InChI: InChI=1S/C6H13O5P/c1-4-11-6(7)5-12(8,9-2)10-3/h4-5H2,1-3H3
InChIKey: HUNISAHOCCASGM-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CP(OC)(OC)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2920907090
hazard_code: Xi
safety_code: 23-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant for synthesis of: Non-nucleoside inhibitors of HCV polymerase NS5BNeuropeptide Y1 receptor antagonistsAlkenylcarboxylates from Horner-Wadsworth-Emmons reactionsReactant for: Enantioselective transfer hydrogenation for preparation of the C7-C14 fragment of ulapualide A Intramolecular Michael reactionsOlefination of peptidyl aldehydes with stabilized ylides