3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid (HCID 2821908)

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
IUPAC: 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
Englischer Name: 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
Summenformel: C7H3ClF3NO2
Molmasse: 225.55

Namen und Synonyme

3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic AcidDTXSID101001096RefChem:500120DTXCID401428051692-407-080194-68-93-Chloro-5-(trifluoromethyl)picolinic acidMFCD002774823-Chloro-5-trifluoromethylpyridine-2-carboxylic acid2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)-3-Chloro-5-trifluoromethyl-pyridine-2-carboxylic acid3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXYLIC ACID

Weitere Namen anzeigen

3-CHLORO-5-(TRIFLUOROMETHYL)-A-PICOLINICBUTTPARK 27\01-873-Chloro-5-(trifluoromethyl)picolinicaci3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylateacid5-Chloro-3-(trifluoromethyl)-2-pyridinecarboxylic acid2-Pyridinecarboxylicacid, 3-chloro-5-(trifluoroMethyl)-2-pyridinecarboxylic acid, 3-chloro-6-(trifluoroMethyl)-3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylicacid,97%

HMS1665F08CCG-53260GEO-0322787OR96929TFluopyram-PCAUNII-87OR96929Tfluopicolide TP23-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylicacid

Datenbank-Bezeichner

CAS: 80194-68-9
PubChem CID: 2821908
DTXSID: DTXSID101001096
UNII: 87OR96929T
EC Number: 692-407-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 233

Physikochemische Eigenschaften

Schmelzpunkt: 141 · 141-143°
Siedepunkt: 269.6 · 269.6±40.0 °C(Predicted)
Dichte: 1.603 · 1.603±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: powder to crystal
pka: 1.77 · 1.77±0.25(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)
InChIKey: HXRMCZBDTDCCOP-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=C(C(F)(F)F)C=C1Cl
EPA chemische Informationen: 2 · 2-Pyridinecarboxylic acid, 3-chloro-5-(trifluoromethyl)- (80194-68-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): 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 4 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.