6-Bromo-1,2,3,4-tetrahydroquinolin-4-one
Basic information
- CAS
76228-06-3- Standard SMILES
O=C1CCNc2ccc(Br)cc21- InChIKey
WAFBCQPOMZIGTJ-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO
- Average molar mass
- 226.07 g/mol
- Monoisotopic mass
- 224.97893
Names & identifiers
- Preferred name
- 6-Bromo-1,2,3,4-tetrahydroquinolin-4-one
- IUPAC
- 6-bromo-2,3-dihydro-1H-quinolin-4-one
- English name
- 6-Bromo-2,3-Dihydroquinolin-4(1H)-One
- Molecular formula
- C9H8BrNO
- Molecular weight
- 226.07
Names & synonyms
6-bromo-1,2,3,4-tetrahydroquinolin-4-oneRefChem:540507867-558-26-BROMO-2,3-DIHYDROQUINOLIN-4(1H)-ONE76228-06-36-Bromo-2,3-dihydro-1H-quinolin-4-oneMFCD00600620Oprea1_166254Oprea1_265034SCHEMBL3015932DTXSID503539574(1H)-QUINOLINONE, 6-BROMO-2,3-DIHYDRO-
Show more names
6-Bromo-2,3-dihydroquinolin-4(1H)
WAFBCQPOMZIGTJ-USCHEMBL211048WAFBCQPOMZIGTJ-UHFFFAOYSA-NAKOS015834555AB06523CS-W018961FS-28176-Bromo-23-dihydroquinolin-4(1H)-one
Database identifiers
- CAS
76228-06-3- PubChem CID
- 759447
- DTXSID
DTXSID50353957- EC Number
- 867-558-2
- Nikkaji
- J2.953.012B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 225 · 225-228 °C(Solv: chloroform (67-66-3); ethyl ether (60-29-7))
- Boiling point
- 359.1 · 359.1±42.0 °C(Predicted)
- Density
- 1.559 · 1.559±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1.72 · 1.72±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-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.
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
5 records
Compound notes
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