Basic information
- CAS
1019016-22-8- Standard SMILES
O=c1cc[nH]c2c(F)cc(Br)cc12- InChIKey
WDEWJCNNJOEGHB-UHFFFAOYSA-N- Molecular formula
- C9H5BrFNO
- Average molar mass
- 242.04 g/mol
- Monoisotopic mass
- 240.95385
Names & identifiers
- Preferred name
- 6-Bromo-8-fluoroquinolin-4-ol
- IUPAC
- 6-bromo-8-fluoro-1H-quinolin-4-one
- English name
- 6-bromo-8-fluoroquinolin-4-ol
- Molecular formula
- C9H5BrFNO
- Molecular weight
- 242.04
Names & synonyms
6-bromo-8-fluoroquinolin-4-ol1019016-22-86-bromo-8-fluoro-1H-quinolin-4-one6-Bromo-8-fluoro-4-hydroxyquinoline6-bromo-8-fluoro-1,4-dihydroquinolin-4-one4-Quinolinol, 6-bromo-8-fluoro-MFCD098613326-Bromo-8-fluoroquinolin-4(1H)-one6-Bromo-8-fluoro-4-quinolinolSCHEMBL21494370UQB01622AKOS005141836
Show more names
AKOS009580542SB69026AS-62070SY184778DB-383463CS-0060286ST51070823EN300-64399
Database identifiers
- CAS
1019016-22-8- PubChem CID
- 43532004
- EC Number
- 155-097-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 368.7 · 368.7±37.0 °C(Predicted)
- Density
- 1.784 · 1.784±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 7.26 · 7.26±0.33(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P304+P340
- HS Code
- 2933499090 · 2933499090
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, P317, 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
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P304+P340
Chemistry & industry
Suppliers11 total
韶远科技(上海)有限公司4000665055 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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