Basic information
- CAS
6311-35-9- Standard SMILES
O=C(O)c1ccc(Br)nc1- InChIKey
JDJBRMNTXORYEN-UHFFFAOYSA-N- Molecular formula
- C6H4BrNO2
- Average molar mass
- 202.01 g/mol
- Monoisotopic mass
- 200.94254047
Names & identifiers
- Preferred name
- 6-Bromonicotinic acid
- IUPAC
- 6-bromopyridine-3-carboxylic acid
- English name
- 6-Bromonicotinic acid
- Molecular formula
- C6H4BrNO2
- Molecular weight
- 202.01
Names & synonyms
6-Bromonicotinic acid6311-35-9NSC-435456R7N3FA49WDTXSID30286037RefChem:1073843DTXCID50237187628-671-06-Bromopyridine-3-carboxylic acid6-Bromo Nicotinic Acid2-bromopyridine-5-carboxylic acid6-bromo-3-pyridinecarboxylic acid
Show more names
6-bromonicotine acid6-BrNANSC 43545AURORA 23320AKOS BBS-000013406-BROMONICOTIC ACIDIFLAB-BB F1921-0015IFLAB-BB F1926-00066-Bromonicotinicaci
3-Pyridinecarboxylic acid, 6-bromo-MFCD019271002-bromo-5-pyridine carboxylic acidSCHEMBL38414PS-3093EN300-86132AI-942/133310256-Bromonicotinicacid
Database identifiers
- CAS
6311-35-9- PubChem CID
- 238932
- DTXSID
DTXSID30286037- ChEMBL
CHEMBL3236912- UNII
- 6R7N3FA49W
- EC Number
- 628-671-0
- Nikkaji
- J2.650.104K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 200 · 200-203 °C(lit.)
- Boiling point
- 343.3 · 343.3±27.0 °C(Predicted)
- Density
- 1.813 · 1.813±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- pka
- 3.24 · 3.24±0.10(Predicted)
- form
- Crystalline Powder
- color
- White
- InChI
- InChI=1S/C6H4BrNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
- InChIKey
- JDJBRMNTXORYEN-UHFFFAOYSA-N
- SMILES
- C1=NC(Br)=CC=C1C(O)=O
- CAS DataBase Reference
- 6311 · 6311-35-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (90.2%): 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)
Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.2%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesA potential hypolipidemic agent; a nicotinic acid analog
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
117 records
Compound notes
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