5-Chloro-3-fluoropyridine-2-carboxylic acid

HCID 11769070

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Grundinformationen

CAS: 207994-08-9
Standard-SMILES: O=C(O)c1ncc(Cl)cc1F
InChIKey: ISWYPIVHUPCJGU-UHFFFAOYSA-N
Summenformel: C6H3ClFNO2
Durchschnittliche Molmasse: 175,54 g/mol
Monoisotopische Masse: 174,9836342

Namen und Bezeichner

Bevorzugter Name: 5-Chloro-3-fluoropyridine-2-carboxylic acid
IUPAC: 5-chloro-3-fluoropyridine-2-carboxylic acid
Englischer Name: 5-chloro-3-fluoropyridine-2-carboxylic acid
Summenformel: C6H3ClFNO2
Molmasse: 175.54

Namen und Synonyme

207994-08-95-Chloro-3-fluoropyridine-2-carboxylic acidDTXSID80472100RefChem:302504DTXCID50422915696-571-45-chloro-3-fluoropicolinic acid2-Pyridinecarboxylic acid, 5-chloro-3-fluoro-MFCD128275555-chloro-3-fluoro-pyridine-2-carboxylic Acid5-CHLORO-3-FLUORO-2-PYRIDINECARBOXYLIC ACIDALLYLUNDECYLENATE

Weitere Namen anzeigen

3-Fluoro-5-chloropyridine-2-carboxylic acid5-Chloro-3-fluoro-pyridin-2-carboxylic acid5-Chloro-3-fluoropicolinic acid, 2-Carboxy-5-chloro-3-fluoropyridine

SCHEMBL8752315-chloro-3-fluoropicolinicacidISWYPIVHUPCJGU-UHFFFAOYSA-NSBB089091AKOS006346514AB66361PS-6751BL001904

Datenbank-Bezeichner

CAS: 207994-08-9
PubChem CID: 11769070
DTXSID: DTXSID80472100
EC Number: 696-571-4
Nikkaji: J1.861.143K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Siedepunkt: 278.3 · 278.3±35.0 °C(Predicted)
Dichte: 1.576 · 1.576±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: powder
pka: 2.48 · 2.48±0.10(Predicted)
Farbe: Yellow

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 (33.3%): 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 (33.3%)；STOT SE 3 (100%)