ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate
Impurity reference standard
- CAS number
- 64485-87-6
- InChIKey
- QQTHNMBPRSXIHX-UHFFFAOYSA-N
- Molecular formula
- C7H10ClNO4
- Molecular weight
- 207.61
- Exact mass
- 207.0298 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate
ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate is supplied as an analytical reference standard. It is registered under CAS number 64485-87-6.
The compound is characterised by its molecular formula C7H10ClNO4 and a molecular weight of 207.61, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 207.0298 Da, a calculated LogP of 0.36, a topological polar surface area of 64.96 Ų. It presents 0 hydrogen-bond donors and 5 acceptors. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis reporting purity of 95%+ together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow. Recommended storage: 2℃ ~ 8℃.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- 0.36
- Topological polar surface area
- 64.96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Rings
- 0
- Elemental composition
- C 40.50% · Cl 17.08% · H 4.86% · N 6.75% · O 30.82%
Frequently asked questions
What purity does ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate ship at?
ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate uniquely identified?
The InChIKey QQTHNMBPRSXIHX-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should ethyl 4-chloro-2-(methoxyimino)-3-oxobutyrate be stored?
Recommended storage: 2℃ ~ 8℃.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.