1-((4-bromophenyl)amino)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
Basic information
- CAS
331235-98-4- Standard SMILES
OC(CNc1ccc(Br)cc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21- InChIKey
NDSIFUBZUKXXRP-UHFFFAOYSA-N- Molecular formula
- C21H17BrCl2N2O
- Average molar mass
- 464.2 g/mol
- Monoisotopic mass
- 461.99013
Names & identifiers
- Preferred name
- 1-((4-bromophenyl)amino)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
- IUPAC
- 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
- English name
- 1-((4-bromophenyl)amino)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol
- Molecular formula
- C21H17BrCl2N2O
- Molecular weight
- 464.18
Names & synonyms
331235-98-41-((4-bromophenyl)amino)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol1-(4-Bromo-phenylamino)-3-(3,6-dichloro-carbazol-9-yl)-propan-2-ol5236-91-91-[(4-bromophenyl)amino]-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-olF0191-4618Oprea1_030670Oprea1_586041SCHEMBL410748DTXSID30385473SMSSF-00639491-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
Show more names
9H-Carbazole-9-ethanol, α-[[(4-bromophenyl)amino]methyl]-3,6-dichloro-
STK833637AKOS000630591AKOS016332752ST502241771-(4-bromoanilino)-3-(3,6-dichloro-9H-carbazol-9-yl)-2-propanol1-(4-Bromoanilino)-3-(3,6-dichloro-9H-carbazol-9-yl)propan-2-ol3-(p-bromophenylamino)-1-(3,6-dichloro-9-carbazolyl)-2-propanol1-(3,6-dichlorocarbazol-9-yl)-3-[(4-bromophenyl)amino]propan-2-ol
Database identifiers
- CAS
331235-98-4、5236-91-9- PubChem CID
- 2836201
- DTXSID
DTXSID30385473- EC Number
- 104-422-7
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 660.3 · 660.3±55.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 14.19 · 14.19±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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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