2-Bromohexanamide
Basic information
- CAS
13161-97-2- Standard SMILES
CCCCC(Br)C(N)=O- InChIKey
KHIMGLDPWJJWRC-UHFFFAOYSA-N- Molecular formula
- C6H12BrNO
- Average molar mass
- 194.07 g/mol
- Monoisotopic mass
- 193.01023
Names & identifiers
- Preferred name
- 2-Bromohexanamide
- IUPAC
- 2-bromohexanamide
- English name
- 2-bromohexanamide
- Molecular formula
- C6H12BrNO
- Molecular weight
- 194.07
Names & synonyms
2-bromohexanamide13161-97-2RefChem:467264984-991-3bromohexanamideSCHEMBL7849774NAA16197CS-0253041EN300-62351G33591Hexanamide, 2-bromo-
Database identifiers
- CAS
13161-97-2- PubChem CID
- 12470643
- EC Number
- 984-991-3
- Nikkaji
- J1.442.629I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.1
Physicochemical properties
- Melting point
- 58.5 · 58.5-59 °C
- Boiling point
- 269.6 · 269.6±23.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 14.95 · 14.95±0.50(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…