CAS 941294-58-2 (tert-Butyl) 6-bromonicotinate (HCID 26369925)

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Grundinformationen

CAS: 941294-58-2
Standard-SMILES: CC(C)(C)OC(=O)c1ccc(Br)nc1
InChIKey: RTRMFSKLFAYIDW-UHFFFAOYSA-N
Summenformel: C10H12BrNO2
Durchschnittliche Molmasse: 258,11 g/mol
Monoisotopische Masse: 257,00514

Namen und Bezeichner

Bevorzugter Name: (tert-Butyl) 6-bromonicotinate
IUPAC: tert-butyl 6-bromopyridine-3-carboxylate
Englischer Name: t-butyl 6-bromo-3-pyridinecarboxylate
Summenformel: C10H12BrNO2
Molmasse: 258.11

Namen und Synonyme

(tert-Butyl) 6-bromonicotinateRefChem:408459689-116-6tert-Butyl 6-bromonicotinate941294-58-2tert-butyl 6-bromopyridine-3-carboxylateMFCD09264580tert-Butyl6-bromonicotinatet-butyl 6-bromo-3-pyridinecarboxylate6-Bromonicotinic acid tert-butyl esterSCHEMBL1462391DTXSID70650016

Weitere Namen anzeigen

6-bromoacidtertbutyl ester1,1-Dimethylethyl 6-bromo-3-pyridinecarboxylate6-bromo-3-pyridinecarboxylic acid tert-butyl estertert-butyl 6-bromopyridine-3-carboxylate - [B26706]

RTRMFSKLFAYIDW-UHFFFAOYSA-N(tert-Butyl)6-bromonicotinate98%3-Pyridinecarboxylic acid, 6-bromo-, 1,1-dimethylethyl esterAKOS014514231ert-butyl6-bromopyridine-3-carboxylatet-Butyl 2-bromo-5-pyridinecarboxylatePS-3460SY028622

Datenbank-Bezeichner

CAS: 941294-58-2
PubChem CID: 26369925
DTXSID: DTXSID70650016
EC Number: 689-116-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 213

Physikochemische Eigenschaften

Siedepunkt: 307.9 · 307.9±22.0 °C(Predicted)
Dichte: 1.385 · 1.385±0.06 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: solid
pka: -1.22 · -1.22±0.10(Predicted)
Farbe: White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.