甲膦酸二异丙酯

Description

Diisopropyl methylphosphonate · CAS 1445-75-6 · C7H17O3P. UNII 56V3OG5DC7. Boiling Point: 121.05 °C @ 10 mm Hg; Boiling Point: 121.05 °C @760 [mm Hg]; Solubility: In water, 1.50X10+3 mg/l @ 25 °C.

Identification

CAS Registry Number	1445-75-6
PubChem CID	3073
Molecular formula	C7H17O3P
IUPAC name	2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
UNII (FDA)	56V3OG5DC7

Computed Descriptors

Molecular Weight	180.18
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.09153140
Monoisotopic Mass	180.09153140
Topological Polar Surface Area	35.5
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	121.05 °C @ 10 mm Hg
Boiling Point	121.05 °C @760 [mm Hg]
Solubility	In water, 1.50X10+3 mg/l @ 25 °C
Density	0.976
Density	0.976 No temp
Vapor Pressure	0.28 [mmHg]
Vapor Pressure	0.28 mm Hg @ 25 °C
Vapor Pressure	0.28 [mm Hg] @25 °C
LogP	log Kow= 1.03
LogP	1.03

Physical description & handling notes

• Colorless liquid; [MSDSonline]
• Water solubility = 160 g/L at 25 °C
• Vapor pressure = 0.17 mmHg at 25 °C
• Vapor pressure= 0.267 kPa at 70 °C
• 28.8 dynes/cm

GHS Hazard Classification

Reported hazard statements	H302 (100%), H319 (51.9%)

Documented Uses

• A byproduct from the manufacture of the nerve-agent Sarin (constitutes up to 20% of Sarin); [HSDB]
• May be used to simulate G-type chemical agents
• Phosphonic acid, P-methyl-, bis(1-methylethyl) ester: ACTIVE
• Diisopropyl methylphosphonate is a byproduct from the manufacture of the nerve-agent Sarin
• ... Three dose levels of diisopropyl methylphosphonate were applied to a shaved area on the backs of Yorkshire-Cross pigs: 400, 40, and 4 ug/sq cm. Additional animals were given 40 mg of diisopropyl methylphosphonate by sc injection, which was equivalent to the high dose applied dermally. Within 24 hr of injection, 91% of the sc administered dose was eliminated in the urine. After 5 days, no further amt was detected in the urine. All tissue specimens collected revealed less than 0.04 ug/g of tissue. For those pigs
• Single doses (225 mg/kg) of [14C]-radiolabeled diisopropyl methylphosphonate dissolved in polyethylene glycol were admin by gavage to fasted male mice, rats, and dogs ... In mice, the highest level of radioactivity (172 ug/ml) was noted in the blood at 15 min. In rats, plasma concn peaked at 151 ug/ml about 2 hr after cmpd admin ... In dogs, peak plasma concn also occurred at 2 hr post-admin at a concn of 276 ug/ml ... Approx 90% of the diisopropyl methylphosphonate was absorbed from the GI tract. This estimate is

Synonyms

DIISOPROPYL METHYLPHOSPHONATE; 1445-75-6; Diisopropyl methanephosphonate; Bis(1-methylethyl) methylphosphonate; DTXSID5024051; Methylphosphonic acid bis(1-methylethyl)ester; 56V3OG5DC7; Phosphonic acid, methyl-, bis(1-methylethyl) ester; DTXCID304051; CHEBI:77325; Diisopropyl methylphosphonate (DIMP); RefChem:587905; 215-896-0; METHYLPHOSPHONIC ACID DIISOPROPYL ESTER; 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane; MFCD00015022

Frequently Asked Questions

What are the CAS number and molecular formula of Diisopropyl methylphosphonate?

CAS 1445-75-6; molecular formula C7H17O3P; molecular weight — g/mol.

What other names is Diisopropyl methylphosphonate known by?

DIISOPROPYL METHYLPHOSPHONATE, 1445-75-6, Diisopropyl methanephosphonate, Bis(1-methylethyl) methylphosphonate, DTXSID5024051, Methylphosphonic acid bis(1-methylethyl)ester.

Is Diisopropyl methylphosphonate classified as hazardous?

Hazard statements reported: H302, H319.

What are the key physical properties of Diisopropyl methylphosphonate?

Boiling Point: 121.05 °C @ 10 mm Hg; Boiling Point: 121.05 °C @760 [mm Hg]; Solubility: In water, 1.50X10+3 mg/l @ 25 °C; Density: 0.976.

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.