2-Chloro-6-(trifluoromethyl)nicotinic acid

HCID 2778210
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Grundinformationen

CAS
280566-45-2
Standard-SMILES
O=C(O)c1ccc(C(F)(F)F)nc1Cl
InChIKey
DXRBTBMFFGEVCX-UHFFFAOYSA-N
Summenformel
C7H3ClF3NO2
Durchschnittliche Molmasse
225,55 g/mol
Monoisotopische Masse
224,9804405

Namen und Bezeichner

Bevorzugter Name
2-Chloro-6-(trifluoromethyl)nicotinic acid
IUPAC
2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid
Englischer Name
2-Chloro-6-trifluoromethylnicotinic acid
Summenformel
C7H3ClF3NO2
Molmasse
225.55

Namen und Synonyme

280566-45-22-Chloro-6-(trifluoromethyl)nicotinic acidDTXSID40380813RefChem:259062DTXCID70331838631-076-92-Chloro-6-trifluoromethylnicotinic acid2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic AcidMFCD018626582-chloro-6-trifluoromethylpyridine-3-carboxylic acid2-Chloro-6-(trifluoromethyl)nicotinic acid;2-chloro-6-(trifluoromethyl)nicotinic acid;2-Chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid3-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-
Weitere Namen anzeigen
RARECHEM AL BO 21842-chloro-6-trifluoromethyl niacin2-chloro-6-trifluoromethylnicotinic2-Chloro-6-(trifluoromethyl)nicotinic Acid >2-Chloro-6-(trifluoromethyl)nicotinic acid ,97%2-CHLORO-6-TRIFLUOROMETHYL NICOTINIC ACID,97+%(GC)2-chloro-6-(trifluoromethyl)pyridine-3-carboxylicaci2-CHLORO-6-TRUFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID2-CHLORO-6-TRIFLUOROMETHYL-3-PYRIDINECARBOXYLIC ACID
2-Chloro-6-(trifluoromethyl)nicotinicacid2-chloro-6-trifluoromethyl-nicotinic acidSCHEMBL165279SCHEMBL30586206CS-D0797SBB053025AKOS005063886PS-6458

Datenbank-Bezeichner

CAS
280566-45-2
PubChem CID
2778210
DTXSID
DTXSID40380813
EC Number
631-076-9
Nikkaji
J2.126.887I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,3
Polarare Oberfläche (TPSA)
50,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
1
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
120 °C · 120 °C
Siedepunkt
271.3 · 271.3±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
Aggregatzustand
powder to crystal
pka
1.42 · 1.42±0.28(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (80%): Toxic if swallowed [Danger 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 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 50 reports by companies from 9 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. 3 (80%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

Sicherheitsdaten

wgk
3
ridadr
UN 2811 6.1 / PGIII
hs_code
2933399990
risk_code
36/37/38-22
hazard_code
Xi,Xn
hazard_note
Irritant

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-6-trifluoromethylnicotinic acid is used as an intermediate in organic synthesis.

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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