3-Bromo-5-methylpyridine-2-carboxylic acid

HCID 53395582

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

1211515-68-23-Bromo-5-methylpyridine-2-carboxylic acidDTXSID50694175RefChem:277614DTXCID60644924695-972-13-Bromo-5-methylpicolinic acidMFCD172142063-Bromo-5-methylpicolinicacidSCHEMBL14555730FS-3419SY031478
Weitere Namen anzeigen
3-Bromo-5-methylpicolinicaci3-broMo-5-Methylpyridin-2-carboxylic acid2-Pyridinecarboxylic acid, 3-bromo-5-methyl-3-Bromo-5-methylpyridine-2-carboxylic acid 97%3-Bromo-5-methylpicolinic acid, 3-Bromo-2-carboxy-5-methylpyridine
EN300-1899903-Bromo-5-methyl-2-pyridinecarboxylic acidAMY28494FT-0763122A891930SCHEMBL31555015AKOS015920270DA-19266

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

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 · 4 Einträge

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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

ridadr
UN2811
hs_code
2933399990

Chemie und Industrie

Anwendungen · 1 Eintrag

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.

Anbieter68 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]

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