Basic information
- CAS
1086838-46-1- Standard SMILES
O=Cc1ncc(Br)cc1[N+](=O)[O-]- InChIKey
HDDQWSRCVIZQIJ-UHFFFAOYSA-N- Molecular formula
- C6H3BrN2O3
- Average molar mass
- 231 g/mol
- Monoisotopic mass
- 229.93270406
Names & identifiers
- Preferred name
- 5-Bromo-3-nitropyridine-2-carbaldehyde
- IUPAC
- 5-bromo-3-nitropyridine-2-carbaldehyde
- English name
- 2-Pyridinecarboxaldehyde, 5-bromo-3-nitro-
- Molecular formula
- C6H3BrN2O3
- Molecular weight
- 231
Names & synonyms
5-BROMO-3-NITROPYRIDINE-2-CARBALDEHYDE1086838-46-15-Bromo-3-nitropicolinaldehydeMFCD17016035C6H3BrN2O35-bromo-3-nitro-pyridine-2-carbaldehyde5-bromo-3-nitropyridine-2-carboxaldehyde5-Bromo-3-nitropyridine-2...SCHEMBL203719DTXSID50725559HDDQWSRCVIZQIJ-UHFFFAOYSA-NAKOS015949182
Show more names
2-Pyridinecarboxaldehyde, 5-bromo-3-nitro-5-bromo-3-nitro-pyridine-2-carbaldehyde CAS：1086838-46-1
5-BroMo-3-nitropyridin-2-carbaldehydePB228485-Bromo-3-nitro-2-pyridinecarboxaldehydeAC-28897AS-33670SY233816DB-368506CS-0021648
Database identifiers
- CAS
1086838-46-1- PubChem CID
- 57415869
- DTXSID
DTXSID50725559
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 316.6 · 316.6±42.0 °C(Predicted)
- Density
- 1.888 · 1.888±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- pka
- -3.56 · -3.56±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers56 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
4 records
Compound notes
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