Dimethyl (1-diazo-2-oxopropyl)phosphonate

HCID 53397103CAS 90965-06-3

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Basic information

Standard SMILES: COP([O-])(OC)=C([N+]#N)C(C)=O
InChIKey: SQHSJJGGWYIFCD-UHFFFAOYSA-N
Molecular formula: C5H9N2O4P
Average molar mass: 192.11 g/mol
Monoisotopic mass: 192.02999377

Names & identifiers

Preferred name: Dimethyl (1-diazo-2-oxopropyl)phosphonate
IUPAC: 1-[dimethoxy(oxido)-lambda5-phosphanylidene]-2-oxopropane-1-diazonium
English name: Dimethyl (1-Diazo-2-oxopropyl)phosphonate
Molecular formula: C5H9N2O4P
Molecular weight: 192.11

Names & synonyms

Dimethyl (1-Diazo-2-oxopropyl)phosphonate90965-06-3Bestmann reagentOHIRA-BESTMANN REAGENTOhira's reagentOhira-bestmann phosphonateBestmann-ohira reagent [MI]UNII-96G79J0LR696G79J0LR6DIMETHYL (ACETYLDIAZOMETHYL)PHOSPHONATEBESTMANN-OHIRA REAGENTPHOSPHONIC ACID, P-(1-DIAZO-2-OXOPROPYL)-, DIMETHYL ESTER

Show more names

Bestmann-Ohira1-Diazo-1-dimethoxyphosphoryl-propan-2-oneDimethyl (1-Diazo-2-oxopropyl)phosphonatdimethyl 1-(1-diazo-2-oxopropyl)phosphonate1-Diazoacetonylphosphonic Acid Dimethyl Ester(1-DIAZO-2-OXO-PROPYL)-PHOSPHONIC ACID DIMETHYL ESTER

alpha-Azido-alpha-(dimethyl phosphono)acetoneP-(1-Diazo-2-oxopropyl)phosphonic acid dimethyl esterDTXSID70455381.ALPHA.-AZIDO-.ALPHA.-(DIMETHYL PHOSPHONO)ACETONERefChem:134199DTXCID00406200692-521-0SQHSJJGGWYIFCD-UHFFFAOYSA-N

Database identifiers

CAS: 90965-06-3
PubChem CID: 53397103
DTXSID: DTXSID70455381
UNII: 96G79J0LR6
EC Number: 692-521-0
Nikkaji: J1.192.388G

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 281

Physicochemical properties

Density: 1.28 · 1.28
refractive index: 20 · n20/D1.352-1.354
Flash point: 2 ℃ · 2℃
storage temp.: 2 · 2-8°C
solubility: Chloroform, Methanol (Slightly)
form: Oil
color: Pale Yellow to Yellow
Merck: 14 · 14,1177
BRN: 4247670 · 4247670
Stability: Light Sensitive
InChI: InChI=1S/C5H9N2O4P/c1-4(8)5(7-6)12(9,10-2)11-3/h1-3H3
InChIKey: SQHSJJGGWYIFCD-UHFFFAOYSA-N
SMILES: P(=O)(OC)(OC)C(=[N+]=[N-])C(=O)C
FDA UNII: 96 G79J0LR6 · 96G79J0LR6
UNSPSC Code: 12352108 · 12352108
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H302+H312+H332-H319
Precautionary statements: 210 · P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338
Hazard Codes: F,Xn
Risk Statements: 11 · 11-20/21/22-36
Safety Statements: 16 · 16-26-36/37
RIDADR: 1648 · UN 1648 3 / PGII
WGK Germany: 3 · 3
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29319090 · 29319090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Safety data

wgk: 3
ridadr: UN 1648 3 / PGII
hs_code: 29319090
risk_code: 11-20/21/22-36
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xn
safety_code: 16-26-36/37
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H302+H312+H332-H319
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
Precautionary statements: P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 2 items

DescriptionDimethyl (1-diazido-2-oxopropyl)phosphonate is a liquid-added organophosphorus flame retardant with good solubility with water, common organic solvents, and inorganic salts flame retardants, with excellent flame retardant properties, low price and low additive amount and other advantages.

UsesReagent for transformation of aldehydes to terminal alkynes and ketones to methyl enol ethers.

Suppliers50 total

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]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

绍兴恒创合益生物科技有限公司15158234258 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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