Basic information
- CAS
1211534-26-7- Standard SMILES
CC(=O)c1cnc(Cl)c(Br)c1- InChIKey
AGOKWCORRRUZCU-UHFFFAOYSA-N- Molecular formula
- C7H5BrClNO
- Average molar mass
- 234.48 g/mol
- Monoisotopic mass
- 232.9243
Names & identifiers
- Preferred name
- 1-(5-Bromo-6-chloropyridin-3-yl)ethan-1-one
- IUPAC
- 1-(5-bromo-6-chloro-3-pyridinyl)ethanone
- English name
- 1-(5-Bromo-6-chloro-pyridin-3-yl)-ethanone
- Molecular formula
- C7H5BrClNO
- Molecular weight
- 234.48
Names & synonyms
1211534-26-71-(5-bromo-6-chloropyridin-3-yl)ethan-1-oneRefChem:426280979-656-31-(5-bromo-6-chloropyridin-3-yl)ethanone1-(5-Bromo-6-chloro-pyridin-3-yl)-ethanoneSCHEMBL9192729AGOKWCORRRUZCU-UHFFFAOYSA-NMFCD182544041-(5-bromo-6-chloro-3-pyridyl)ethanone1-(5-Bromo-6-chloro-3-pyridinyl)ethanoneDB-161552
Show more names
Ethanone, 1-(5-bromo-6-chloro-3-pyridinyl)-
CS-0159042G28715EN300-6775604Z1269207508
Database identifiers
- CAS
1211534-26-7- PubChem CID
- 20071992
- EC Number
- 979-656-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 339.8 · 339.8±42.0 °C(Predicted)
- Density
- 1.647 · 1.647±0.06 g/cm3(Predicted)
- pka
- -2.91 · -2.91±0.10(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
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%)
Chemistry & industry
Suppliers8 total
上海凌飞医药科技有限公司13764318709 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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