알릴디에틸포스포노아세테이트

Allyl P,P-diethylphosphonoacetate

HCID 4583084CAS 113187-28-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CCOC(=O)CP(=O)(OCC)OCC
InChIKey: USZLAMOPIWNLPH-UHFFFAOYSA-N
분자식: C9H17O5P
평균 분자량: 236.2 g/mol
단동위원소 질량: 236.08136027

이름 및 식별자

우선 이름: Allyl P,P-diethylphosphonoacetate
IUPAC: prop-2-enyl 2-diethoxyphosphorylacetate
현지명: 알릴디에틸포스포노아세테이트
영어명: Allyl diethylphosphonoacetate
분자식: C9H17O5P
분자량: 236.2

이름 및 동의어

113187-28-3Allyl P,P-diethylphosphonoacetateDTXSID50404519RefChem:318084DTXCID30355373626-620-7allyl diethylphosphonoacetateProp-2-enyl 2-diethoxyphosphorylacetateAllyl 2-(diethoxyphosphoryl)acetateprop-2-en-1-yl 2-(diethoxyphosphoryl)acetateMFCD00191710Allyl 2-diethoxyphosphorylacetate

이름 더 보기

알릴디에틸포스포노아세테이트DIETHYL(3-PROP-1-ENYL)PHOSPHONATEAllyl P,P-diethylphosphonoacetate 97%Allyl Diethylphosphonoacetate(WXC00005)Diethyl (3-prop-1-enyl)phosphonoacetateDiethyl(3-prop-1-enyl)phosphonate, 98 %

SCHEMBL2028174AKOS015913058Allyl P,P-diethylphosphonoacetate, 97%AS-61251FA153498Prop-2-en-1-yl (diethoxyphosphoryl)acetateCS-0046889W10736

데이터베이스 식별자

CAS: 113187-28-3
PubChem CID: 4583084
DTXSID: DTXSID50404519
EC Number: 626-620-7
Nikkaji: J741.656C

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 15
형식 전하: 0
복잡도: 241

물리화학적 성질

끓는 점: 157 · 157-158 °C10 mm Hg(lit.)
밀도: 1.12 g/mL · 1.12 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.445(lit.)
인화점: 230 °F · >230 °F
물리적 상태: liquid
BRN: 1788582 · 1788582
InChI: 1S/C9H17O5P/c1-4-7-12-9(10)8-15(11,13-5-2)14-6-3/h4H,1,5-8H2,2-3H3
InChIKey: USZLAMOPIWNLPH-UHFFFAOYSA-N
SMILES: CCOP(=O)(CC(=O)OCC=C)OCC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.4%): 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 (97.4%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant for:Horner-Wadsworth-Emmons reactionPreparation of phosphonate-functionalized cyclopentenones via regioselective Pauson-Khand processesPreparation of salicylihalamide analog saliphenylhalamide as potential vacuolar ATPase inhibitors and anticancer agentsSolid-phase synthesis of olefin-containing peptides via Horner-Emmons reaction as inhibitors of HTLV-1 proteaseSynthesis of fluorescent poly(aromatic amide) dendrimers