Phosphonic acid, P,P'-(1,4-phenylenebis(methylene))bis-, P,P,P',P'-tetraethyl ester

HCID 78303CAS 4546-04-7

기본 정보

표준 SMILES: CCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)cc1)OCC
InChIKey: XTKQUBKFKSHRPS-UHFFFAOYSA-N
분자식: C16H28O6P2
평균 분자량: 378.34 g/mol
단동위원소 질량: 378.13611188

이름 및 식별자

우선 이름: Phosphonic acid, P,P'-(1,4-phenylenebis(methylene))bis-, P,P,P',P'-tetraethyl ester
IUPAC: 1,4-bis(diethoxyphosphorylmethyl)benzene
영어명: p-Xylylenediphosphonic acid tetraethyl ester
분자식: C16H28O6P2
분자량: 378.34

이름 및 동의어

p-Bis(diethylphosphono)xylenep-Xylylenebis(diethyl phosphonate)Phosphonic acid, [1,4-phenylenebis(methylene)]bis-, tetraethyl esterEINECS 224-902-0Tetraethyl (1,4-phenylenebis(methylene))bisphosphonateNSC 203064Phosphonic acid, (p-phenylenedimethylene)di-, tetraethyl esterPhosphonic acid, (1,4-phenylenebis(methylene))bis-, tetraethyl esterPhosphonic acid, P,P'-(1,4-phenylenebis(methylene))bis-, P,P,P',P'-tetraethyl esterTetraethyl [1,4-phenylenebis(methylene)]bisphosphonatePhosphonic acid, P,P'-[1,4-phenylenebis(methylene)]bis-, P,P,P',P'-tetraethyl esterRefChem:862179

이름 더 보기

p-xylylenediphosphon...Tetraethyl p-xylene diphosphatep-Xylenebis(diethyl phosphonate)Tetraethyl p-Xylylenediphosphote1,4-Xylenebis(diethylphosphonate)

224-902-04546-04-7Tetraethyl p-xylylenediphosphonatep-Xylylenediphosphonic Acid Tetraethyl EsterTetraethyl (1,4-phenylenebis(methylene))bis(phosphonate)p-Bis(diethoxyphosphono)xylene1,4-bis(diethoxyphosphorylmethyl)benzeneMFCD00671576

데이터베이스 식별자

CAS: 4546-04-7
PubChem CID: 78303
DTXSID: DTXSID10952864
UNII: KC7KTT3UGM
EC Number: 224-902-0
Nikkaji: J297.808C

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 71.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 12
무거운 원자 수: 24
형식 전하: 0
복잡도: 374

물리화학적 성질

녹는점: 76 °C · 76°C
끓는 점: 220 °C · 220 °C / 7mmHg
밀도: 1.153 · 1.153±0.06 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
저장 조건: Sealed in dry,Room Temperature
용해도: 물에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 454.7 mg/L · 454.7mg/L at 25℃
InChI: InChI=1S/C16H28O6P2/c1-5-19-23(17,20-6-2)13-15-9-11-16(12-10-15)14-24(18,21-7-3)22-8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKey: XTKQUBKFKSHRPS-UHFFFAOYSA-N
SMILES: C1(CP(=O)(OCC)OCC)=CC=C(CP(=O)(OCC)OCC)C=C1
LogP: 1.12 · 1.12
EPA: 1 · Phosphonic acid, [1,4-phenylenebis(methylene)]bis-, tetraethyl ester (4546-04-7)

화학적 성질

White or off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (70%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 05-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20904

Hazard Classes and CategoriesAcute Tox. 4 (70%)

안전 데이터

tsca: TSCA listed
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-24/25

화학 및 산업

용도 및 제조

General Manufacturing InformationPhosphonic acid, P,P'-[1,4-phenylenebis(methylene)]bis-, P,P,P',P'-tetraethyl ester: INACTIVE

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

연결된 노트

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