4,6-Dichloronicotinic acid

HCID 817158CAS 73027-79-9

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Grundinformationen

Standard-SMILES: O=C(O)c1cnc(Cl)cc1Cl
InChIKey: ILMIEWNDXAKVNI-UHFFFAOYSA-N
Summenformel: C6H3Cl2NO2
Durchschnittliche Molmasse: 192 g/mol
Monoisotopische Masse: 190,9540837

Namen und Bezeichner

Bevorzugter Name: 4,6-Dichloronicotinic acid
IUPAC: 4,6-dichloropyridine-3-carboxylic acid
Englischer Name: 4,6-Dichloronicotinic acid
Summenformel: C6H3Cl2NO2
Molmasse: 192

Namen und Synonyme

4,6-dichloronicotinic acid73027-79-9DTXSID10355755RefChem:96636DTXCID20306814695-891-14,6-Dichloropyridine-3-carboxylic acidMFCD002341463-Pyridinecarboxylic acid, 4,6-dichloro-2,4-dichloropyridine-5-carboxylic acid4,6-DICHLORO-3-PYRIDINECARBOXYLIC ACID4.6-dichloronicotinic acid

Weitere Namen anzeigen

4,6-DichloronicotinicAci2,4-Dichloro-5-carboxypyridine4,6-Dichloronicotinic acid ,97%2,4-Dichloro-5-carboxylpyridine ,97%4,6-Dichloronicotinic Acid(WX614282)4,6-Dichloropyridin-3-carboxylic acid

HY-W002553AB05151D5311Z12016199132,4-Dichloro-5-carboxylpyridine4,6-DichloronicotinicAcid9LCU6UZ5VZ4,6-dichloro-nicotinic acid

Datenbank-Bezeichner

CAS: 73027-79-9
PubChem CID: 817158
DTXSID: DTXSID10355755
UNII: 9LCU6UZ5VZ
EC Number: 695-891-1
Nikkaji: J1.537.725I

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: 165

Physikochemische Eigenschaften

Schmelzpunkt: 158 · 158-160
Siedepunkt: 337 · 337.0±37.0 °C(Predicted)
Dichte: 1.612 · 1.612±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 1.87 · 1.87±0.25(Predicted)
Aggregatzustand: Solid
Farbe: White to Light yellow
Wasserlöslichkeit: Slightly soluble in water.
Stabilität: Hygroscopic
InChI: InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11)
InChIKey: ILMIEWNDXAKVNI-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=CC(Cl)=C1C(O)=O
CAS Datenbank: 73027 · 73027-79-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 4 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (75%)

Sicherheitsdaten

hs_code: 29333990
risk_code: 22-20/21/22
hazard_code: Xi,Xn
safety_code: 24/25-36/37
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden4,6-Dichloronicotinic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.