2-Chloro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2,4-dione
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Basic information
- CAS
5381-98-6- Standard SMILES
O=C1OP(=O)(Cl)Oc2ccccc21- InChIKey
UVJIYKJXYWOZRA-UHFFFAOYSA-N- Molecular formula
- C7H4ClO4P
- Average molar mass
- 218.53 g/mol
- Monoisotopic mass
- 217.9535733
Names & identifiers
- Preferred name
- 2-Chloro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2,4-dione
- IUPAC
- 2-chloro-2-oxo-1,3,2λ5-benzodioxaphosphinin-4-one
- English name
- Anhydro-(O-carboxyphenyl)phosphorochloridate
- Molecular formula
- C7H4ClO4P
- Molecular weight
- 218.53
Names & synonyms
5381-98-6ANHYDRO-(O-CARBOXYPHENYL)PHOSPHOROCHLORIDATE2-Chloro-2H,4H-1,3,2lambda~5~-benzodioxaphosphinine-2,4-dioneNSC46474Anhydro-(O-carboxyphenyl)phosphorochloridate, >90%2-chloro-4h-1,3,2-benzodioxaphosphinin-4-one 2-oxide2-chloro-2-oxo-1,3,2lambda5-benzodioxaphosphinin-4-one2-Chloro-4H-benzo[d][1,3,2]dioxaphosphinin-4-one 2-oxide2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one 2-oxide; Salicylic Acid Phosphorochloridate Cyclic Anhydride;SCHEMBL29510888DTXSID30286552NSC-46474
Show more names
Salicylic Acid Phosphorochloridate Cyclic Anhydride2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one 2-oxide4H-1,3,2-Benzodioxaphosphorin-4-one, 2-chloro-, 2-oxide
DB-2277412-chloro-2-oxo-1,3,2$l^{5}-benzodioxaphosphinin-4-one
Database identifiers
- CAS
5381-98-6- PubChem CID
- 240336
- DTXSID
DTXSID30286552
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 77 · 77-80C
- storage temp.
- Refrigerator, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesA enicillin-Likeinhibitor of Lactamases
UsesA “Penicillin-Like”-inhibitor of β-Lactamases.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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