8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine
Impurity reference standard
- CAS number
- 59467-69-5
- InChIKey
- UUGUSEWJNOCDEF-UHFFFAOYSA-N
- Molecular formula
- C18H15ClFN3
- Molecular weight
- 327.78
- Exact mass
- 327.0939 Da
- Purity
- 95%+
- Appearance
- Off-White to Yellow Solid
- Storage
- 2℃ ~ 8℃
About 8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine
8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine is supplied as an analytical reference standard. It is registered under CAS number 59467-69-5.
The compound is characterised by its molecular formula C18H15ClFN3 and a molecular weight of 327.78, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 327.0939 Da, a calculated LogP of 3.94, a topological polar surface area of 27.96 Ų. It presents 0 hydrogen-bond donors and 3 acceptors. The structure carries 1 defined stereocentre, which is relevant wherever a stereochemically defined standard is required. 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)
- 3.94
- Topological polar surface area
- 27.96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Rings
- 4
- Defined stereocentres
- 1
- Elemental composition
- C 65.96% · Cl 10.82% · F 5.80% · H 4.61% · N 12.82%
Frequently asked questions
What purity does 8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine ship at?
8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine 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 8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine uniquely identified?
The InChIKey UUGUSEWJNOCDEF-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 8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine?
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 8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 8-Chloro-6-(2-fluorophenyl)-1-methyl-3a,4-dihydro-3H-benzo[f]imidazo[1,5-a][1,4]diazepine 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.