3-Bromo-5-methylpyridine-2-carboxylic acid
Grundinformationen
- CAS
1211515-68-2- Standard-SMILES
Cc1cnc(C(=O)O)c(Br)c1- InChIKey
BAFGEDISONEYIX-UHFFFAOYSA-N- Summenformel
- C7H6BrNO2
- Durchschnittliche Molmasse
- 216,03 g/mol
- Monoisotopische Masse
- 214,95819053
Namen und Bezeichner
- Bevorzugter Name
- 3-Bromo-5-methylpyridine-2-carboxylic acid
- IUPAC
- 3-bromo-5-methylpyridine-2-carboxylic acid
- Englischer Name
- 3-Bromo-5-methylpyridine-2-carboxylic acid
- Summenformel
- C7H6BrNO2
- Molmasse
- 216.03
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1211515-68-2- PubChem CID
- 53395582
- DTXSID
DTXSID50694175- EC Number
- 695-972-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 50,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 163
Physikochemische Eigenschaften
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- Farbe
- White
- InChI
- InChI=1S/C7H6BrNO2/c1-4-2-5(8)6(7(10)11)9-3-4/h2-3H,1H3,(H,10,11)
- InChIKey
- BAFGEDISONEYIX-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=C(C)C=C1Br
Sicherheit und Regulatorisches
GHS-Klassifizierung
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- ridadr
- UN2811
- hs_code
- 2933399990
Chemie und Industrie
Anwendungen
Beschreibung3-Bromo-5-methylpyridine-2-carboxylic acid is an organic compound with the molecular formula C7H6BrNO2. It is a derivative of pyridine, a primary heterocyclic organic compound. This compound is characterized by a bromine atom at the third position, a methyl group at the fifth position, and a carboxylic acid group at the second position of the pyridine ring. 3-Bromo-5-methylpyridine-2-carboxylic acid can be synthesized through several methods. One common method involves the bromination of 5-methylpyridine-2-carboxylic acid using a brominating agent such as N-bromosuccinimide (NBS) in the presence of a catalyst like azobisisobutyronitrile (AIBN). The reaction typically occurs in an organic solvent such as dichloromethane at a controlled temperature.
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