Tetraisopropyl methylenediphosphonate
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기본 정보
- CAS
1660-95-3- 표준 SMILES
CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C- InChIKey
ODTQUKVFOLFLIQ-UHFFFAOYSA-N- 분자식
- C13H30O6P2
- 평균 분자량
- 344.32 g/mol
- 단동위원소 질량
- 344.15176194
이름 및 식별자
- 우선 이름
- Tetraisopropyl methylenediphosphonate
- IUPAC
- 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
- 영어명
- Tetraisopropyl methylenediphosphonate
- 분자식
- C13H30O6P2
- 분자량
- 344.32
이름 및 동의어
Tetraisopropyl methylenediphosphonate1660-95-3Methylenediphosphonic acid tetraisopropyl esterPhosphonic acid, methylenebis-, tetrakis(1-methylethyl) esterTetraisopropyl methylenebisphosphonateDTXSID7044847Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetrakis(1-methylethyl) esterEINECS 216-765-0UNII-K46Y5V9U61DTXCID5024847Phosphonic acid, methylenedi-, tetraisopropyl esterK46Y5V9U61
이름 더 보기
Medronic Acid EP Impurity BMedronic acid impurity B CRSTetraisopropyl MethylenediphonateBis(diisopropoxyphosphinyl)methaneTetrakis(1-methylethyl) MethylenediTETRAISOPROPYL(METHYLENE)BISPHOSPHONATETetraisopropylMethylenediphosphonate>Tetra-isopropyl methyldiphosphate ester
tetra-i-PropylmethylenediphosphonateNSC-226577NSC 226577((DIISOPROPOXYPHOSPHINYL)METHYL)DIISOPROPOXYPHOSPHINE OXIDETETRAKIS(O-ISOPROPYL) METHYLENEDIPHOSPHONATERefChem:188728ODTQUKVFOLFLIQ-UHFFFAOYSA-Ntetraisopropyl methylenebis(phosphonate)
데이터베이스 식별자
- CAS
1660-95-3- PubChem CID
- 74266
- DTXSID
DTXSID7044847- ChEMBL
CHEMBL3183026- UNII
- K46Y5V9U61
- EC Number
- 216-765-0
- Nikkaji
- J195.300A
물성
구조 계산 물성보충 중
- XLogP
- 2
- 극성 표면적
- 71.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 328
실험 및 물리화학적 성질
Physical DescriptionLiquid
Collision Cross Section185.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044847]
물리화학적 성질
- 끓는 점
- 155 °C/0.5 · 155 °C/0.5 mmHg (lit.)
- 밀도
- 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
- 증기압
- 0.017 Pa · 0.017Pa at 20℃
- 굴절률
- 20 · n20/D 1.431(lit.)
- 인화점
- 320 °F · 320 °F
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- liquid
- 색상
- 무색~황색으로 투명
- Specific Gravity
- 1.08 · 1.080
- 수용성
- 물에 불용성.
- BRN
- 1080180 · 1080180
- InChI
- 1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (12.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 111 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetrakis(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetrakis(1-methylethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 23-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19418
Phosphonic acid, methylenebis-, tetrakis(1-methylethyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (12.6%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29319090
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-36-39
- Hazard Classifications
- Eye Dam. 1
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetrakis(1-methylethyl) ester: ACTIVE
응용 분야
용도Tetraisopropyl Methylenediphosphonate is used in the preparation of E2-bisphosphonate conjugates as potential anti-osteoporosis agents. Also used in the preparation of AZT 5’-Triphosphate compounds which display inhibitory effects on HIV-1 reverse transcrpitase.
일반 설명Tetraisopropyl methylenediphosphonate (IPCP) is a tetraisopropyl ester of methylenediphosphonic acid. It is an electroneutral ligand, reported to be synthesized from triisopropyl phosphate. Powder electron paramagnetic resonance (EPR) studies of tris complexes of Cu(II) complexes with IPCP has been analyzed.
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