Chemical identity
2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine
CAS not listed · C16H12BBrN2
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-58412 |
|---|---|
| PubChem CID | 53384413 |
| Name | 2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine |
| CAS RN | Not listed |
| Molecular formula | C16H12BBrN2 |
| Molecular weight | 323.0 g/mol |
| IUPAC name | 3-(4-bromophenyl)-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene |
| InChIKey | NKGYQJVDGSWXFR-UHFFFAOYSA-N |
02Structure identifiers
![Two-dimensional chemical structure of 2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine](/structures/pubchem/53384413-900.png)
The parsed structure contains 4 rings, includes aromatic atoms, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Unassigned stereocentres | 0 |
| Ring count | 4 |
| Secondary amines | 2 |
| Tertiary amines | 0 |
| N-methyl amine sites | 0 |
| SMILES | B1(NC2=CC=CC3=C2C(=CC=C3)N1)C4=CC=C(C=C4)Br |
|---|---|
| InChI | Not listed |
| Formula from structure | C16H12BBrN2 |
| Molecular weight from structure | 323.0 g/mol |
03India status for this compound
These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.
| NDPS / RCS | NO EXACT MATCH FOUND | No CAS number is available for an exact comparison. |
|---|---|---|
| SCOMET | NO EXACT REVIEWED CAS MATCH | No CAS number is available for an exact comparison. |
| Review date | 2026-08-01 | Recheck the current official instruments for the material, concentration, activity and date in question. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · reviewed 2026-08-01
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · reviewed 2026-08-01
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · reviewed 2026-08-01
04Names and relationships
Associated parent compound
No parent compound is listed.
Other names
No synonyms are listed.
05Documented history
Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.
No verified discovery, first report, occurrence, use or issue event is currently available for this identity.
06Sources
- S01PubChem compound record, CID 53384413
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.