Basic information
- CAS
21047-57-4- Standard SMILES
CCOP(=O)(OCC)C(=[N+]=[N-])C(C)=O- InChIKey
POWMKQRQDNARSN-UHFFFAOYSA-N- Molecular formula
- C7H13N2O4P
- Average molar mass
- 220.16 g/mol
- Monoisotopic mass
- 220.06129353
Overview
See also: Diethyl 1-diazo-2-oxopropylphosphonate (preferred).
Names & identifiers
- Preferred name
- (1Z)-1-diazo-1-diethoxyphosphorylpropan-2-one
- IUPAC
- (1Z)-1-diazo-1-diethoxyphosphorylpropan-2-one
- English name
- POWMKQRQDNARSN-UHFFFAOYSA-N
- Molecular formula
- C7H13N2O4P
- Molecular weight
- 220.16
Names & synonyms
diethyl (1-diazo-2-oxopropyl)phosphonatePOWMKQRQDNARSN-UHFFFAOYSA-N1-diazo-1-diethoxyphosphorylpropan-2-one(1-diazo-2-oxo-propyl)-phosphonic acid diethyl ester.
Database identifiers
- CAS
21047-57-4- PubChem CID
- 136104435
- DTXSID
DTXSID001267221
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- InChI
- InChI=1S/C7H13N2O4P/c1-4-12-14(11,13-5-2)7(9-8)6(3)10/h4-5H2,1-3H3
- InChIKey
- POWMKQRQDNARSN-UHFFFAOYSA-N
- SMILES
- C(=[N+]=[N-])(C(=O)C)P(=O)(OCC)OCC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
绍兴恒创合益生物科技有限公司15158234258 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海舒盟医药科技有限公司021-54540637 18621091017 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
上海楚恩医药科技有限公司18817486326 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
Related reactions
8 records
Compound notes
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