亚甲基二膦酸四异丙酯

Description

Tetraisopropyl methylenediphosphonate · CAS 1660-95-3 · C13H30O6P2. UNII K46Y5V9U61.

Identification

CAS Registry Number	1660-95-3
PubChem CID	74266
Molecular formula	C13H30O6P2
IUPAC name	2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
UNII (FDA)	K46Y5V9U61

Computed Descriptors

Molecular Weight	344.32
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	344.15176267
Monoisotopic Mass	344.15176267
Topological Polar Surface Area	71.1
Heavy Atom Count	21
Formal Charge	0

Physical description & handling notes

• Liquid
• 185.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044847]
• 174.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7044847]
• 177.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7044847]

GHS Hazard Classification

Reported hazard statements	H301 (12.6%), H302, H312 (33.3%), H311 (16.2%), H318 (54.1%), H319 (45%), H331 (12.6%), H335 (12.6%)

Documented Uses

• Pharmaceutical and Medicine Manufacturing
• Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetrakis(1-methylethyl) ester: ACTIVE

Synonyms

Tetraisopropyl methylenediphosphonate; 1660-95-3; Methylenediphosphonic acid tetraisopropyl ester; Phosphonic acid, methylenebis-, tetrakis(1-methylethyl) ester; Tetraisopropyl methylenebisphosphonate; DTXSID7044847; Phosphonic acid, P,P'-methylenebis-, P,P,P',P'-tetrakis(1-methylethyl) ester; EINECS 216-765-0; UNII-K46Y5V9U61; DTXCID5024847; Phosphonic acid, methylenedi-, tetraisopropyl ester; K46Y5V9U61; tetra-i-Propylmethylenediphosphonate; NSC-226577; NSC 226577; ((DIISOPROPOXYPHOSPHINYL)METHYL)DIISOPROPOXYPHOSPHINE OXIDE

Frequently Asked Questions

What are the CAS number and molecular formula of Tetraisopropyl methylenediphosphonate?

CAS 1660-95-3; molecular formula C13H30O6P2; molecular weight — g/mol.

What other names is Tetraisopropyl methylenediphosphonate known by?

Tetraisopropyl methylenediphosphonate, 1660-95-3, Methylenediphosphonic acid tetraisopropyl ester, Phosphonic acid, methylenebis-, tetrakis(1-methylethyl) ester, Tetraisopropyl methylenebisphosphonate, DTXSID7044847.

Is Tetraisopropyl methylenediphosphonate classified as hazardous?

Hazard statements reported: H301, H302, H312, H311, H318.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.