8-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one
Basic information
- CAS
1379324-91-0- Standard SMILES
O=C1NCCNc2cc(Br)ccc21- InChIKey
VEGQVKQLPZPWOM-UHFFFAOYSA-N- Molecular formula
- C9H9BrN2O
- Average molar mass
- 241.08 g/mol
- Monoisotopic mass
- 239.98983
Names & identifiers
- Preferred name
- 8-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one
- IUPAC
- 8-bromo-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
- English name
- 8-Bromo-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one
- Molecular formula
- C9H9BrN2O
- Molecular weight
- 241.08
Names & synonyms
1379324-91-08-Bromo-3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one8-bromo-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-oneMFCD166578358-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one8-Bromo-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-oneSCHEMBL3065999SCHEMBL30430237VEGQVKQLPZPWOM-UHFFFAOYSA-NAKOS026506242DS-19102SY345366
Show more names
5H-1,4-Benzodiazepin-5-one, 8-bromo-1,2,3,4-tetrahydro-
DB-208096CS-0187279C72522EN300-1964078-bromo-1,2,3,4-tetrahydro-5H-benzo[e][1,4]diazepin-5-one
Database identifiers
- CAS
1379324-91-0- PubChem CID
- 59548554
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
3 records
Compound notes
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