Tetraethyl methylenediphosphonate (HCID 15455)

이름 및 식별자

우선 이름: Tetraethyl methylenediphosphonate
IUPAC: 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
영어명: Tetraethyl methylenediphosphonate
분자식: C9H22O6P2
분자량: 288.21

이름 및 동의어

Tetraethyl methylenediphosphonate1660-94-2Tetraethyl methylenebisphosphonateEINECS 216-764-5BRN 1813241Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetraethyl esterMethylenediphosphonic acid, tetraethyl ester4-01-00-03071 (Beilstein Handbook Reference)RefChem:188555Phosphonic acid, methylenedi, tetraethyl esterPhosphonic acid, methylenebis, tetraethyl esterPhosphonic acid, P,P'methylenebis, P,P,P',P'tetraethyl ester

이름 더 보기

1-5kgNSC 133889AURORA KA-1506enediphosphonateTenofovir Impurity 183BIS(DIETHOXYPHOSPHINYL)METHANEtetraethyl methylenediphosphateTetraethylemethylenediphosphonate

216-764-5STJWVOQLJPNAQL-UHFFFAOYSA-Ntetraethyl methylenebis(phosphonate)1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethaneTetraethyl methanediphosphonateMethylenebis(diethylphosphonate)Phosphonic acid, methylenebis-, tetraethyl esterTetraethyl diphosphonomethane

데이터베이스 식별자

CAS: 1660-94-2
PubChem CID: 15455
DTXSID: DTXSID60937146
UNII: WT3D5Q9EPC
EC Number: 216-764-5
Nikkaji: J40.747J

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 71.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 10
무거운 원자 수: 17
형식 전하: 0
복잡도: 245

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organophosphates, Other

SpringerMaterials PropertiesViscosity

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

끓는 점: 171 · 171-174 °C11 mm Hg(lit.)
밀도: 1.16 g/mL · 1.16 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.442(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.16 · 1.160
색상: 투명한 노란색에서 황갈색까지
수용성: 물과 약간 섞임.
BRN: 1813241 · 1813241
InChI: InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKey: STJWVOQLJPNAQL-UHFFFAOYSA-N
SMILES: C(P(=O)(OCC)OCC)P(=O)(OCC)OCC
EPA: Phosphonic acid, methylenebis-, tetraethyl ester (1660-94-2)

화학적 성질

clear yellow to yellow-brown 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Dimethyl methylphosphonate, Dibutyl butylphosphonate, and Diethyl ethylphosphonate.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SZ9150000
독성: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03139,
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi,C
safety_code: 26-36
위험 참고 사항: Corrosive
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPhosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetraethyl ester: INACTIVE

응용 분야 · 1건

용도Tetraethyl methylidenebisphosphonate, can be used in the synthesis of tetrazoloquinoline-based mono- and bisphosphonate esters as potent anti-inflammatory agents. It is also an intermediate for the synthesis of new bisphosphonate and bisphosphonic acid derivatives with anticancer and antischistosomal activity.