Methyl 2-amino-5-chloronicotinate

HCID 15828199

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Grundinformationen

CAS: 50735-33-6
Standard-SMILES: COC(=O)c1cc(Cl)cnc1N
InChIKey: PEYKGXOKTQNWCI-UHFFFAOYSA-N
Summenformel: C7H7ClN2O2
Durchschnittliche Molmasse: 186,59 g/mol
Monoisotopische Masse: 186,0196052

Namen und Bezeichner

Bevorzugter Name: Methyl 2-amino-5-chloronicotinate
IUPAC: methyl 2-amino-5-chloropyridine-3-carboxylate
Englischer Name: 2-Amino-5-chloro-nicotinic acid methyl ester
Summenformel: C7H7ClN2O2
Molmasse: 186.6

Namen und Synonyme

Methyl 2-amino-5-chloronicotinateRefChem:814064816-991-550735-33-62-AMINO-5-CHLORO-NICOTINIC ACID METHYL ESTERMETHYL 2-AMINO-5-CHLOROPYRIDINE-3-CARBOXYLATEMFCD090316783-Pyridinecarboxylic acid, 2-amino-5-chloro-, methyl estermethyl 2-amino-5-chloro-pyridine-3-carboxylate2-AMINO-5-CHLORO-NICOTINICACIDMETHYLESTERSCHEMBL914850SCHEMBL29733564

Weitere Namen anzeigen

Methyl2-amino-5-chloronicotinateDTXSID50578668PEYKGXOKTQNWCI-UHFFFAOYSA-NACA73533Methyl 2-amino-5-chloronicotinate?AKOS006238320AB49362AC-33905

Datenbank-Bezeichner

CAS: 50735-33-6
PubChem CID: 15828199
DTXSID: DTXSID50578668
EC Number: 816-991-5
Nikkaji: J992.485J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 65,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

storage temp.: Keep in dark place,Inert atmosphere,Room temperature
InChI: InChI=1S/C7H7ClN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)
InChIKey: PEYKGXOKTQNWCI-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Cl)C=C1C(OC)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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.；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.