6-Chloro-5-methylpyridine-2-carboxylic acid

HCID 18324437CAS 1166828-13-2

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Grundinformationen

Standard-SMILES: Cc1ccc(C(=O)O)nc1Cl
InChIKey: ZURJURQGGWNOFN-UHFFFAOYSA-N
Summenformel: C7H6ClNO2
Durchschnittliche Molmasse: 171,58 g/mol
Monoisotopische Masse: 171,0087061

Namen und Bezeichner

Bevorzugter Name: 6-Chloro-5-methylpyridine-2-carboxylic acid
IUPAC: 6-chloro-5-methylpyridine-2-carboxylic acid
Englischer Name: 6-Chloro-5-Methylpyridine-2-carboxylic acid
Summenformel: C7H6ClNO2
Molmasse: 171.58

Namen und Synonyme

6-Chloro-5-methylpyridine-2-carboxylic acid1166828-13-2DTXSID60592799RefChem:308028DTXCID00543563962-945-36-CHLORO-5-METHYLPICOLINIC ACIDMFCD131767166-Chloro-5-methyl-pyridine-2-carboxylic acid2-PYRIDINECARBOXYLIC ACID, 6-CHLORO-5-METHYL-6-CHLORO-5-METHYL-2-PYRIDINECARBOXYLIC ACIDSCHEMBL1106060

Weitere Namen anzeigen

ZURJURQGGWNOFN-UHFFFAOYSA-NAKOS015842367AB66617CS-W019905DS-16719SY1077736-Chloro-5-methylpyridine-2-carboxylicacidDB-359485

Datenbank-Bezeichner

CAS: 1166828-13-2
PubChem CID: 18324437
DTXSID: DTXSID60592799
EC Number: 962-945-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Siedepunkt: 346.2 · 346.2±37.0 °C(Predicted)
Dichte: 1.39 · 1.390±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.44 · 3.44±0.10(Predicted)
InChI: InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)9-6(4)8/h2-3H,1H3,(H,10,11)
InChIKey: ZURJURQGGWNOFN-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC(Cl)=C(C)C=C1

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.