Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate

HCID 11759356

노트 반응

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기본 정보

CAS: 124755-24-4
표준 SMILES: CCOC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIKey: HBYHPBCAZBLFTD-UHFFFAOYSA-N
분자식: C8H11F6O5P
평균 분자량: 332.13 g/mol
단동위원소 질량: 332.0248294

이름 및 식별자

우선 이름: Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate
IUPAC: ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
영어명: ETHYL [BIS(2,2,2-TRIFLUOROETHOXY)PHOSPHINYL]ACETATE
분자식: C8H11F6O5P
분자량: 332.13

이름 및 동의어

Ethyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetateEthyl (bis(2,2,2-trifluoroethoxy)phosphinyl)acetateRefChem:593142628-627-0124755-24-4Ethyl 2-(bis(2,2,2-trifluoroethoxy)phosphoryl)acetateEthyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetateMFCD01318337Acetic acid, 2-[bis(2,2,2-trifluoroethoxy)phosphinyl]-, ethyl esterEthyl[bis(2,2,2-trifluoroethoxy)phosphinyl]acetateEthyl [bis(2,2,2-trSCHEMBL1135973

이름 더 보기

Ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphinyl]acetateEthyl [bis(2,2,2-trifluoroethoxy)phosphinyl]acetate 97%Di(3,3,3-trifluoroethyl)(ethoxycarbonylmethyl)phosphonate[Bis-(2,2,2-trifluoro-ethoxy)-phosphoryl]-acetic acid ethyl ester[BIS-(2,2,2-TRIFLUORO-ETHOXY)-PHOSPHORYL]-ACETIC ACID METHYL ESTER

DTXSID80471931Acetic acid, [bis(2,2,2-trifluoroethoxy)phosphinyl]-, ethyl esterAKOS015913541CS-W004772AS-72186SY112987F227426Ethyl [bis(2,2,2-trifluoroethoxy)phosphoryl]acetate

데이터베이스 식별자

CAS: 124755-24-4
PubChem CID: 11759356
DTXSID: DTXSID80471931
EC Number: 628-627-0
Nikkaji: J452.521C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 11
회전 가능 결합 수: 8
무거운 원자 수: 20
형식 전하: 0
복잡도: 343

물리화학적 성질

끓는 점: 249 · 249-250 °C(lit.)
밀도: 1.403 g/mL · 1.403 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.3730(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C, stored under nitrogen
InChI: InChI=1S/C8H11F6O5P/c1-2-17-6(15)3-20(16,18-4-7(9,10)11)19-5-8(12,13)14/h2-5H2,1H3
InChIKey: HBYHPBCAZBLFTD-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CP(OCC(F)(F)F)(OCC(F)(F)F)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 39 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
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl [Bis(2,2,2-trifluoroethoxy)phosphinyl]acetate is a reagent used in the preparation of spiroketal EBC-23; an anticancer agent, scytonemin A; a novel calcium antagonist and other useful organic compounds.