Basic information
- CAS
33829-00-4- Standard SMILES
O=C1Nc2ccccc2C1=Nc1ccc(Br)cc1- InChIKey
MDVXHMPADQICQN-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O
- Average molar mass
- 301.14 g/mol
- Monoisotopic mass
- 299.98983
Names & identifiers
- Preferred name
- 3-(4-Bromo-phenylimino)-1,3-dihydro-indol-2-one
- IUPAC
- 3-(4-bromophenyl)imino-1H-indol-2-one
- English name
- 3-(4-Bromo-phenylimino)-1,3-dihydro-indol-2-one
- Molecular formula
- C14H9BrN2O
- Molecular weight
- 301.14
Names & synonyms
3-(4-Bromo-phenylimino)-1,3-dihydro-indol-2-one33829-00-43-((4-Bromophenyl)imino)indolin-2-oneMLS001209407SMR0005137805571-67-53-(4-bromoanilino)indol-2-oneCBMicro_030990cid_8372233-[(4-bromophenyl)imino]-2,3-dihydro-1H-indol-2-oneCHEMBL1488802SCHEMBL16444534
Show more names
2H-Indol-2-one, 3-[(4-bromophenyl)imino]-1,3-dihydro-
SCHEMBL164445353-(4-bromoanilino)-2-indoloneBDBM67325DTXSID60971080HMS1674K11HMS2820E23EBC-73083STK862414
Database identifiers
- CAS
33829-00-4、5571-67-5- PubChem CID
- 135411933
- DTXSID
DTXSID60971080- ChEMBL
CHEMBL1488802- EC Number
- 118-726-2
- Nikkaji
- J1.083.802I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 361
Experimental & physicochemical properties
Solubility6.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 242 °C · 242 °C(Solv: ethanol (64-17-5))
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 9.07 · 9.07±0.20(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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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