Methyl 5-(bromomethyl)pyrazine-2-carboxylate

HCID 21973569CAS 193966-70-0

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Grundinformationen

Standard-SMILES: COC(=O)c1cnc(CBr)cn1
InChIKey: OIGRHUBIDWZLHR-UHFFFAOYSA-N
Summenformel: C7H7BrN2O2
Durchschnittliche Molmasse: 231,05 g/mol
Monoisotopische Masse: 229,96909

Namen und Bezeichner

Bevorzugter Name: Methyl 5-(bromomethyl)pyrazine-2-carboxylate
IUPAC: methyl 5-(bromomethyl)pyrazine-2-carboxylate
Englischer Name: Methyl-5-(bromomethyl)pyrazine-2-carboxylate
Summenformel: C7H7BrN2O2
Molmasse: 231.04668

Namen und Synonyme

METHYL 5-(BROMOMETHYL)PYRAZINE-2-CARBOXYLATE193966-70-0DTXSID00620989RefChem:355935DTXCID80571743889-754-7MFCD16036651Methyl-5-(bromomethyl)pyrazine-2-carboxylateSCHEMBL480161Pyrazinecarboxylic acid, 5-(bromomethyl)-, methyl esterAMY12057AKOS015920372

Weitere Namen anzeigen

pyrazine-2-carboxylateMethyl 5-(bromomethyl)

SCHEMBL31390501CS-W019653DS-13618SY107685DB-125282F0782425-Bromomethyl-pyrazine-2-carboxylic acid methyl ester

Datenbank-Bezeichner

CAS: 193966-70-0
PubChem CID: 21973569
DTXSID: DTXSID00620989
EC Number: 889-754-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 52,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 165

Physikochemische Eigenschaften

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C7H7BrN2O2/c1-12-7(11)6-4-9-5(2-8)3-10-6/h3-4H,2H2,1H3
InChIKey: OIGRHUBIDWZLHR-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=C(CBr)N=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.