CAS 88912-25-8 4,6-Dichloropyridine-2-carboxylic acid (HCID 12087453)

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Grundinformationen

CAS: 88912-25-8
Standard-SMILES: O=C(O)c1cc(Cl)cc(Cl)n1
InChIKey: AYYUSDKNXRPJBH-UHFFFAOYSA-N
Summenformel: C6H3Cl2NO2
Durchschnittliche Molmasse: 192 g/mol
Monoisotopische Masse: 190,9540837

Namen und Bezeichner

Bevorzugter Name: 4,6-Dichloropyridine-2-carboxylic acid
IUPAC: 4,6-dichloropyridine-2-carboxylic acid
Englischer Name: 4,6-Dichloro-2-pyridinecarboxylic acid
Summenformel: C6H3Cl2NO2
Molmasse: 192

Namen und Synonyme

4,6-Dichloropyridine-2-carboxylic acidRefChem:508039640-640-34,6-dichloropicolinic acid88912-25-84,6-DICHLORO-2-PYRIDINECARBOXYLIC ACIDMFCD099102672-Pyridinecarboxylic acid, 4,6-dichloro-4,6-Dichloropicolinicacid4,6-Dichloro-pyridine-2-carboxylic acid2-Carboxy-4,6-dichloropyridineSCHEMBL365280

Weitere Namen anzeigen

4,6-Dichloropicolinic4,6 dichloro -2 picolinic acid4,6-Dichloropyridin-2-carboxylic acid4,6-Dichloropicolinic acid, CAS 88912-25-84,6-dichloropicolinic acid 4,6-dichloropicolinic acid4,6-Dichloro-2-pyridinecarboxylic acid ISO 9001：2015 REACH

SCHEMBL29462184DTXSID30477327AYYUSDKNXRPJBH-UHFFFAOYSA-NAKOS006283272AB55079CS-W018783PS-4780AC-23270

Datenbank-Bezeichner

CAS: 88912-25-8
PubChem CID: 12087453
DTXSID

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 165

Physikochemische Eigenschaften

Schmelzpunkt: 111 · 111-112℃
Siedepunkt: 336.6 · 336.6±37.0 °C(Predicted)
Dichte: 1.612 · 1.612
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 2.9 · 2.90±0.10(Predicted)
InChI: InChI=1S/C6H3Cl2NO2/c7-3-1-4(6(10)11)9-5(8)2-3/h1-2H,(H,10,11)
InChIKey: AYYUSDKNXRPJBH-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC(Cl)=CC(Cl)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): 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 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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 3 reports by companies from 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)