3-Iodopyridine-4-carboxylic acid

HCID 619275

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Grundinformationen

CAS: 57842-10-1
Standard-SMILES: O=C(O)c1ccncc1I
InChIKey: MJSNRTLYWDXHAQ-UHFFFAOYSA-N
Summenformel: C6H4INO2
Durchschnittliche Molmasse: 249,01 g/mol
Monoisotopische Masse: 248,92867637

Namen und Bezeichner

Bevorzugter Name: 3-Iodopyridine-4-carboxylic acid
IUPAC: 3-iodopyridine-4-carboxylic acid
Englischer Name: 3-Iodoisonicotinic acid
Summenformel: C6H4INO2
Molmasse: 249.01

Namen und Synonyme

3-iodopyridine-4-carboxylic acidRefChem:502782867-555-63-Iodoisonicotinic acid57842-10-13-Iodo-isonicotinic acid3-Iodo-4-pyridinecarboxylic acidMFCD016460724-Pyridinecarboxylic acid, 3-iodo-3-Iodoisonicotinicacid3-iodo-4-pyridinecarboxylicaciSCHEMBL1023235

Weitere Namen anzeigen

3-Iodo-4-pyridinecarboxylic acid, 95+%3-IODOISONICOTINIC ACID ISO 9001：2015 REACH3-Iodopyridine-4-carboxylic acid, 4-Carboxy-3-iodopyridine

DTXSID30347233SBB065379AKOS005257084AB09565PS-55543-Iodo-4-pyridinecarboxylic acid ,97%3-Iodopyridine-4-carboxylic acid ,97%AC-23251

Datenbank-Bezeichner

CAS: 57842-10-1
PubChem CID: 619275
DTXSID: DTXSID30347233
EC Number: 867-555-6
Nikkaji: J1.773.678G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Schmelzpunkt: 205 · 205-210°C
storage temp.: 2 · Sealed in dry,2-8°C
Aggregatzustand: Powder
Farbe: Off-white to beige
InChI: 1S/C6H4INO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
InChIKey: MJSNRTLYWDXHAQ-UHFFFAOYSA-N
SMILES: OC(=O)c1ccncc1I

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Iodoisonicotinic Acid, is an Antituberculotics. It is used on its own for the control of latent tuberculosis and in combination with other drugs for active TB. It works by inhibiting the formation of mycolic acid in the cell wall of Mycobacterium tuberculosis.