Completing data — usually done within a minute
Basic information
- CAS
1501630-67-6- Standard SMILES
CCC1Nc2ccc(Br)cc2NC1=O- InChIKey
IPNNHNYQOCUNOD-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2O
- Average molar mass
- 255.11 g/mol
- Monoisotopic mass
- 254.00548
Names & identifiers
- Preferred name
- 7-Bromo-3-ethyl-1,2,3,4-tetrahydroquinoxalin-2-one
- IUPAC
- 7-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
Names & synonyms
7-Bromo-3-ethyl-1,2,3,4-tetrahydroquinoxalin-2-one874217-03-57-Bromo-3-ethyl-3,4-dihydroquinoxalin-2(1H)-one1501630-67-67-bromo-3-ethyl-3,4-dihydro-1H-quinoxalin-2-oneSCHEMBL25316346SCHEMBL30493626AKOS017843945
Database identifiers
- CAS
1501630-67-6- PubChem CID
- 77623949
- EC Number
- 156-764-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
2 records
Compound notes
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