3-Bromoquinolin-8-ol
Basic information
- CAS
139399-62-5- Standard SMILES
Oc1cccc2cc(Br)cnc12- InChIKey
VYGIVXTVBNTOLP-UHFFFAOYSA-N- Molecular formula
- C9H6BrNO
- Average molar mass
- 224.05 g/mol
- Monoisotopic mass
- 222.96328
Names & identifiers
- Preferred name
- 3-Bromoquinolin-8-ol
- IUPAC
- 3-bromoquinolin-8-ol
- English name
- 3-bromoquinolin-8-ol
- Molecular formula
- C9H6BrNO
- Molecular weight
- 224.05
Names & synonyms
3-bromoquinolin-8-ol139399-62-5DTXSID80327646RefChem:499415DTXCID50278757845-655-08-Quinolinol, 3-bromo-3-Bromo-8-quinolinolMFCD16877649NSC673458SCHEMBL3385960CHEMBL1999179
Show more names
PFA39962AKOS022185488NSC-673458SB70318AS-41450NCI60_026028DB-204502CS-0210831
Database identifiers
- CAS
139399-62-5- PubChem CID
- 384167
- DTXSID
DTXSID80327646- ChEMBL
CHEMBL1999179- EC Number
- 845-655-0
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 111 °C · 111 °C
- Boiling point
- 348.4 · 348.4±22.0 °C(Predicted)
- Density
- 1.705 · 1.705±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 7.42 · 7.42±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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