Magnesium, bromo(hexahydro-2H-azepin-2-onato-kappaN1)-
Basic information
- CAS
17091-31-5- Standard SMILES
O=C1CCCCC[N-]1.[Br-].[Mg+2]- InChIKey
BOQJOCGCWDUQOA-UHFFFAOYSA-L- Molecular formula
- C6H10BrMgNO
- Average molar mass
- 216.36 g/mol
- Monoisotopic mass
- 214.97962
Names & identifiers
- Preferred name
- Magnesium, bromo(hexahydro-2H-azepin-2-onato-kappaN1)-
- IUPAC
- magnesium;azanidacycloheptan-2-one;bromide
- English name
- CAPROLACTAM MAGNESIUM BROMIDE
- Molecular formula
- C6H10BrMgNO
- Molecular weight
- 216.36
Names & synonyms
17091-31-5Bromo(hexahydro-2H-azepin-2-onato-N)magnesiumEINECS 241-158-2Magnesium, bromo(hexahydro-2H-azepin-2-onato-.kappa.N1)-DTXSID5066160caprolactam magnesium bromideMagnesium, bromo(hexahydro-2H-azepin-2-onato-kappaN1)-RefChem:800641DTXCID3035472241-158-2magnesium;azanidacycloheptan-2-one;bromidemagnesium;3,4,5,6-tetrahydro-2H-azepin-7-olate;bromide
Show more names
Bromocaprolactam magnesiumBrom(hexahydro-2H-azepin-2-onato-N)magnesium(2-Oxo-1-azacycloheptane-1-yl) magnesium bromide(Hexahydro-2-oxo-1H-azepin-1-yl)magnesium bromide(2-Oxohexahydro-2H-azepine-1-yl) magnesium bromide
NS00087621Magnesium bromide 2-oxoazepan-1-ide (1/1/1)
Database identifiers
- CAS
17091-31-5- PubChem CID
- 86947
- DTXSID
DTXSID5066160- EC Number
- 241-158-2
Properties
Computed structural properties
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.7
Experimental & physicochemical properties
Physical DescriptionLarge Crystals
Physicochemical properties
- Density
- 1.18 · 1.18[at 20℃]
- vapor pressure
- 0.088 Pa · 0.088Pa at 20℃
- Water Solubility
- 870 g/L · 870g/L at 20℃
- LogP
- 0.12 at · 0.12 at 25℃
- EPA Substance Registry System
- Magnesium, bromo(hexahydro-2H-azepin-2-onato-.kappa.N1)- (17091-31-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H332
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Magnesium, bromo(hexahydro-2H-azepin-2-onato-.kappa.N1)-
Magnesium, bromo(hexahydro-2H-azepin-2-onato-.kappa.N1)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Magnesium, bromo(hexahydro-2H-azepin-2-onato-.kappa.N1)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Bromo(hexahydro-2H-azepin-2-onato-N)magnesium (EC: 241-158-2)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H332
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
Chemistry & industry
Uses & manufacturing
U.S. Production2022: 50,000 - <250,000 lb
Industry UsesCatalyst
General Manufacturing Information
Plastics Material and Resin Manufacturing
Magnesium, bromo(hexahydro-2H-azepin-2-onato-.kappa.N1)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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