5,6-Dibromopyridine-3-carboxylic acid
Basic information
- CAS
29241-64-3- Standard SMILES
O=C(O)c1cnc(Br)c(Br)c1- InChIKey
ABBCIGFWDCOGEQ-UHFFFAOYSA-N- Molecular formula
- C6H3Br2NO2
- Average molar mass
- 280.9 g/mol
- Monoisotopic mass
- 278.85305
Names & identifiers
- Preferred name
- 5,6-Dibromopyridine-3-carboxylic acid
- IUPAC
- 5,6-dibromopyridine-3-carboxylic acid
- English name
- 5,6-Dibromopyridine-3-carboxylic acid
- Molecular formula
- C6H3Br2NO2
- Molecular weight
- 280.9
Names & synonyms
5,6-dibromopyridine-3-carboxylic acidRefChem:527976889-119-45,6-dibromonicotinic acid29241-64-33-Pyridinecarboxylic acid, 5,6-dibromo-MFCD019270995,6-DibromonicotinicAcid5,6-DIBROMO-NICOTINICACID5,6-DIBROMO-3-PYRIDINECARBOXYLIC ACID2,3-DIBROMO-5-PYRIDINECARBOXYLIC ACIDAI-942/13331024
Show more names
5,6-Dibromopicolinic acid5,6-Dibromopyridine-3-carboxyL5,6-Dibromopyridine-3-carboxylic5,6-Dibromopyridine-3-carboxylicac5,6-Dibromopyridine-3-carboxylicaci5,6-Dibrompyridine-3-carboxylic acid5,6-dibromo-2-pyridinecarboxylic acid
SCHEMBL487368SCHEMBL30792836DTXSID00358518CL0207AKOS0052555742,3-Dibromopyridine-5-carboxylic acidAC-23218DS-10984
Database identifiers
- CAS
29241-64-3- PubChem CID
- 901418
- DTXSID
DTXSID00358518- EC Number
- 889-119-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 379.5 · 379.5±42.0 °C(Predicted)
- Density
- 2.202 · 2.202±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- pka
- 2.85 · 2.85±0.10(Predicted)
- form
- Solid
- color
- Off-White to Pale Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H312-H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2811 · 2811
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
- ridadr
- 2811
- hs_code
- 2933399990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H332-H302-H312-H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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