CAS 175205-81-9 2-Bromo-4-(trifluoromethyl)pyridine (HCID 2781543)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 175205-81-9
Standard-SMILES: FC(F)(F)c1ccnc(Br)c1
InChIKey: WZVHLUMAQLUNTJ-UHFFFAOYSA-N
Summenformel: C6H3BrF3N
Durchschnittliche Molmasse: 225,99 g/mol
Monoisotopische Masse: 224,94009586

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-(trifluoromethyl)pyridine
IUPAC: 2-bromo-4-(trifluoromethyl)pyridine
Englischer Name: 2-Bromo-4-(trifluoromethyl)pyridine
Summenformel: C6H3BrF3N
Molmasse: 225.99

Namen und Synonyme

2-Bromo-4-(trifluoromethyl)pyridine175205-81-9DTXSID60381807RefChem:85706DTXCID40332832672-057-5Pyridine, 2-bromo-4-(trifluoromethyl)-MFCD001530852-bromo-4-trifluoromethylpyridine2-bromo-4-trifluoromethyl-pyridineCS-W002441HY-W002441

Weitere Namen anzeigen

Relacorilant Impurity 52-Bromo-alpha,alpha,alpha-trifluoro-4-picoline2-Bromo-4-(trifluoromethyl)pyridine ISO 9001：2015 REACH

AB04062PS-6522SY007961B55102-Bromo-4-trifluormethylpyridine2-Bromo-4-trifluormFT-0643691SCHEMBL136851

Datenbank-Bezeichner

CAS: 175205-81-9
PubChem CID: 2781543
DTXSID: DTXSID60381807
EC Number: 672-057-5
Nikkaji: J2.072.898A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: -21 · -21--20 °C
Siedepunkt: 84 · 84-85 °C/14 mmHg
Dichte: 1.827 g/mL · 1.827 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.478
Flammpunkt: 164 °F · 164 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: -1.57 · -1.57±0.10(Predicted)
Farbe: Colorless to Light yellow to Light orange
InChI: InChI=1S/C6H3BrF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
InChIKey: WZVHLUMAQLUNTJ-UHFFFAOYSA-N
SMILES: C1(Br)=NC=CC(C(F)(F)F)=C1
CAS Datenbank: 175205 · 175205-81-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (87.8%): Toxic if swallowed [Danger Acute toxicity, oral]

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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (87.8%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 2933399990
risk_code: 25-36/37/38-37/38-36
hazard_code: T,Xi
hazard_note: Toxic/Irritant
safety_code: 26-36/37-45-37
hazard_class: IRRITANT
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Bromo-4-(trifluoromethyl)pyridine in used in the preparation of pyrazolopyridines as kinase LRRK2 inhibitors for treating and preventing cancer and neurodegenerative diseases.