Methyl 4-iodopicolinate

HCID 22742038

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Grundinformationen

CAS: 380381-28-2
Standard-SMILES: COC(=O)c1cc(I)ccn1
InChIKey: HSNLSLNACLYWKJ-UHFFFAOYSA-N
Summenformel: C7H6INO2
Durchschnittliche Molmasse: 263,03 g/mol
Monoisotopische Masse: 262,94433

Namen und Bezeichner

Bevorzugter Name: Methyl 4-iodopicolinate
IUPAC: methyl 4-iodopyridine-2-carboxylate
Englischer Name: Methyl 4-iodopyridine-2-carboxylate
Summenformel: C7H6INO2
Molmasse: 263.03

Namen und Synonyme

Methyl 4-iodopicolinateRefChem:816490689-298-7methyl 4-iodopyridine-2-carboxylate380381-28-2MFCD082351002-Pyridinecarboxylic acid, 4-iodo-, methyl esterSCHEMBL24907934-Iodopicolinic acid methyl esterDTXSID90627982AMY12266Methyl 4-Iodo-2-Pyri

Weitere Namen anzeigen

Methyl-ioddopicolinateMethyl 4-iodo-2-pyridinecarboxylateMethyl4-iodopyridine-2-carboxylate98%Methyl 4-iodopyridine-2-carboxylate 98%Methyl 4-iodopyridine-2-carboxylate ISO 9001：2015 REACHMETHYL 4-IODOPYRIDINE-2-CARBOXYLATE 98%METHYL 4-IODOPICOLINATE

CL0182SBB065371AKOS015891632CS-W006997PS-6228AC-23300SY0276724-iodopyridine-2-carboxylic acid methyl ester

Datenbank-Bezeichner

CAS: 380381-28-2
PubChem CID: 22742038
DTXSID: DTXSID90627982
EC Number: 689-298-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
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: 70 · 70-73
Siedepunkt: 327.6 · 327.6±27.0 °C(Predicted)
Dichte: 1.844 · 1.844±0.06 g/cm3(Predicted)
storage temp.: Keep Cold
Aggregatzustand: solid
pka: -0.21 · -0.21±0.10(Predicted)
Farbe: Light brown to grey

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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, 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.