Basic information
- CAS
1289118-74-6- Standard SMILES
O=Cc1ccc(Br)[nH]c1=O- InChIKey
SZDHHKVTOUVAHK-UHFFFAOYSA-N- Molecular formula
- C6H4BrNO2
- Average molar mass
- 202.01 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-2-hydroxynicotinaldehyde
- IUPAC
- 6-bromo-2-oxo-1H-pyridine-3-carbaldehyde
- English name
- 3-Pyridinecarboxaldehyde, 6-bromo-1,2-dihydro-2-oxo-
- Molecular formula
- C6H4BrNO2
- Molecular weight
- 202.01
Names & synonyms
6-BROMO-2-HYDROXYNICOTINALDEHYDE1289118-74-66-bromo-2-oxo-1H-pyridine-3-carbaldehydeMFCD22547787SCHEMBL23725196AB84532CS-0310157D80553PS-18655SY474353DB-428424F544935
Show more names
3-Pyridinecarboxaldehyde, 6-bromo-1,2-dihydro-2-oxo-
6-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxaldehyde
Database identifiers
- CAS
1289118-74-6
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 364.4 · 364.4±42.0 °C(Predicted)
- Density
- 1.97 · 1.970±0.06 g/cm3(Predicted)
- pka
- 5.49 · 5.49±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers15 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
武汉创合化学有限公司15907120073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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