2-Bromo-isonicotinic acid methyl ester

HCID 3847768

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Grundinformationen

CAS: 26156-48-9
Standard-SMILES: COC(=O)c1ccnc(Br)c1
InChIKey: MULLTHQTADMZDM-UHFFFAOYSA-N
Summenformel: C7H6BrNO2
Durchschnittliche Molmasse: 216,03 g/mol
Monoisotopische Masse: 214,95819053

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-isonicotinic acid methyl ester
IUPAC: methyl 2-bromopyridine-4-carboxylate
Englischer Name: 2-Bromo-isonicotinic acid methyl ester
Summenformel: C7H6BrNO2
Molmasse: 216.03

Namen und Synonyme

2-Bromo-isonicotinic acid methyl esterRefChem:467118626-474-4methyl 2-bromoisonicotinate26156-48-9Methyl 2-bromopyridine-4-carboxylateMFCD037912652-Bromoisonicotinic acid methyl ester4-PYRIDINECARBOXYLIC ACID, 2-BROMO-, METHYL ESTERSCHEMBL46685PS-6226AC-24953

Weitere Namen anzeigen

2-BROMO-4-METHYL PICOLINATERARECHEM AL BF 15242-Bromopyridine -4-carboxyliMethyl2-Bromoisonicotinate>Methyl 2-bromoisonicotinate 98%2-Bromopyridine-4-Picolinic acid methyl ester

2-Bromo-4-pyridine carboxylic acid methyl estermethyl-2-bromoisonicotinateMETHYL 2-BROMO-4-PYRIDINECARBOXYLATEFT-0600146methyl-2-bromo-isonicotinateMethyl 2-Bromopyridine-4-c2-BROMOPYRIDINE-4-CARBOXYLIC ACID METHYL ESTERSCHEMBL29584593

Datenbank-Bezeichner

CAS: 26156-48-9
PubChem CID: 3847768
DTXSID: DTXSID00397265
EC Number: 626-474-4
Nikkaji: J149.526G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-36
Siedepunkt: 268 · 268.0±20.0 °C(Predicted)
Dichte: 1.579 · 1.579±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -1.32 · -1.32±0.10(Predicted)
Farbe: White to Light yellow
BRN: 128656 · 128656
InChI: 1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
InChIKey: MULLTHQTADMZDM-UHFFFAOYSA-N
SMILES: COC(=O)c1ccnc(Br)c1
CAS Datenbank: 26156 · 26156-48-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant/Keep Cold
safety_code: 26
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Bromopyridine-4-carboxylic acid methyl ester is a kind of important medicine intermediate, used as initiator during the synthesis of polymer brushes with single-walled carbon nanotubes as backbones.