Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate

HCID 58964419

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Grundinformationen

CAS: 866775-17-9
Standard-SMILES: COC(=O)c1ncc(C(F)(F)F)cc1N
InChIKey: RPBPQAHDCODVNJ-UHFFFAOYSA-N
Summenformel: C8H7F3N2O2
Durchschnittliche Molmasse: 220,15 g/mol
Monoisotopische Masse: 220,04596196

Namen und Bezeichner

Bevorzugter Name: Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate
IUPAC: methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate
Englischer Name: 3-Amino-5-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
Summenformel: C8H7F3N2O2
Molmasse: 220.15

Namen und Synonyme

866775-17-9Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylateDTXSID40730718RefChem:815220DTXCID30681462874-350-5METHYL 3-AMINO-5-(TRIFLUOROMETHYL)PICOLINATE3-Amino-5-trifluoromethyl-pyridine-2-carboxylic acid methyl esterMFCD18259060Methyl 3-amino-5-(trifluoromethyl)-2-pyridinecarboxylate2-Pyridinecarboxylic acid, 3-amino-5-(trifluoromethyl)-, methyl esterSCHEMBL2373041

Weitere Namen anzeigen

3-amino-5-(trifluoromethyl)-2-pyridinecarboxylic acid methyl ester

SCHEMBL29699314AKOS023413076SB39177AS-41905SY222158DB-331088CS-0169427EN300-365849

Datenbank-Bezeichner

CAS: 866775-17-9
PubChem CID: 58964419
DTXSID: DTXSID40730718
EC Number: 874-350-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 65,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 245

Physikochemische Eigenschaften

Siedepunkt: 326.2 · 326.2±42.0 °C(Predicted)
Dichte: 1.408 · 1.408±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 0.23 · 0.23±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.