다이에틸 메틸포스폰산

Diethyl methylphosphonate

HCID 12685CAS 683-08-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOP(C)(=O)OCC
InChIKey: NYYLZXREFNYPKB-UHFFFAOYSA-N
분자식: C5H13O3P
평균 분자량: 152.13 g/mol
단동위원소 질량: 152.06023091

이름 및 식별자

우선 이름: Diethyl methylphosphonate
IUPAC: 1-[ethoxy(methyl)phosphoryl]oxyethane
현지명: 다이에틸 메틸포스폰산
영어명: Diethyl methylphosphonate
분자식: C5H13O3P
분자량: 152.13

이름 및 동의어

DIETHYL METHYLPHOSPHONATE683-08-9Diethyl methanephosphonateDEMPJRX9AX7374DTXSID80218449RefChem:587242DTXCID50140940211-667-41-[ethoxy(methyl)phosphoryl]oxyethanePhosphonic acid, methyl-, diethyl esterMFCD00009813

이름 더 보기

다이에틸 메틸포스폰산AURORA KA-1413diethylmethanephosphateDIETHYL METHANEPHOSPONATEDiethylmethylphosphonate,97%o,o-Diethyl methylphosphonateMethylphosphonic acid diethyl

C5H13O3PDiethylmethylphosphonateEINECS 211-667-4BRN 1753416Methylphosphonic Acid Diethyl EsterAdefovir Impurity 36diethyl methyphosphonateDiethoxymethylphosphine oxide

데이터베이스 식별자

CAS: 683-08-9
PubChem CID: 12685
DTXSID: DTXSID80218449
ChEMBL: CHEMBL5192380
UNII: JRX9AX7374
EC Number: 211-667-4
Nikkaji: J43.477I

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 103

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

Density1.04 @ 30°C

Boiling Point194 °C @760 [mm Hg]

물리화학적 성질

끓는 점: 194 °C · 194 °C(lit.)
밀도: 1.041 g/mL · 1.041 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.414(lit.)
인화점: 168 °F · 168 °F
저장 조건: Hygroscopic, Refrigerator, under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 무색~담황색 투명
수용성: 물과 섞일 수 있습니다.
BRN: 1753416 · 1753416
안정성: 흡습성
InChI: InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
InChIKey: NYYLZXREFNYPKB-UHFFFAOYSA-N
SMILES: P(C)(=O)(OCC)OCC
NIST: Diethyl methanephosphonate(683-08-9)

화학적 성질

clear colorless liquid

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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhosphonic acid, methyl-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

7.3 [mg/m3]

81 [mg/m3]

480 [mg/m3]

안전 데이터

wgk: 3
rtecs: SZ9085000
HS 번호: 29310095
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39

화학 및 산업

응용 분야 · 1건

용도Diethyl methylphosphonate is used as a precursor for the synthesis of gem-difluroalkenyphosphonate via reaction with alpha-trifluromethylstyrene. It is also used in the synthesis of phosphonylated peptides, fluoroalkyl alpha- and beta-aminophosphonates, pyridone alkaloids with neuritogenic activity and lipophilic meropenem-derived prodrugs. It is readily mineralized by photoexcited titanium dioxide (TiO2).