CAS 436799-33-6 3-Bromo-5-(trifluoromethyl)pyridine (HCID 11127991)

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Grundinformationen

CAS: 436799-33-6
Standard-SMILES: FC(F)(F)c1cncc(Br)c1
InChIKey: HEDHNDVPKRVQPN-UHFFFAOYSA-N
Summenformel: C6H3BrF3N
Durchschnittliche Molmasse: 225,99 g/mol
Monoisotopische Masse: 224,94009586

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-5-(trifluoromethyl)pyridine
IUPAC: 3-bromo-5-(trifluoromethyl)pyridine
Englischer Name: 3-Bromo-5-(trifluoromethyl)pyridine
Summenformel: C6H3BrF3N
Molmasse: 225.99

Namen und Synonyme

3-Bromo-5-(trifluoromethyl)pyridine436799-33-6DTXSID50456230RefChem:93190DTXCID90407049626-819-93-bromo-5-trifluoromethyl-pyridineMFCD04972700Pyridine, 3-bromo-5-(trifluoromethyl)-3-bromo-5-trifluoromethylpyridine5-bromo-3-(trifluoromethyl)pyridine3-bromo-5-trifluoromethylpyridin

Weitere Namen anzeigen

5-Trifluoromethyl-3-bromopyridine3-Bromo-5-(trifluoromethyl)pyridine95%3-Bromo-5-(trifluoromethyl)pyridine 95%5-Bromo-alpha,alpha,alpha-trifluoro-3-picoline3-Bromo-5-(trifluoromethyl)pyridine ISO 9001：2015 REACH

AKOS005063455PS-63903-Bromo-5-(trifluoromethyl)pyridine, 97%3-Bromo-5-trfluoromethylpyridine3-Trifluoromethyl-5-bromopyridineAM20070189SCHEMBL185547SCHEMBL944873

Datenbank-Bezeichner

CAS: 436799-33-6
PubChem CID: 11127991
DTXSID: DTXSID50456230
EC Number

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
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: 44 · 44-46 °C
Siedepunkt: 62 °C · 62 °C
Dichte: 1.707 · 1.707±0.06 g/cm3(Predicted)
Flammpunkt: 149 °F · 149 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 0.45 · 0.45±0.20(Predicted)
Aggregatzustand: Crystalline Powder or Solid
Farbe: White to yellow
InChI: InChI=1S/C6H3BrF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChIKey: HEDHNDVPKRVQPN-UHFFFAOYSA-N
SMILES: C1=NC=C(C(F)(F)F)C=C1Br
CAS Datenbank: 436799 · 436799-33-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (81.6%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, 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. 2 (81.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333999
risk_code: 25-36/37/38
hazard_code: T,Xi
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
packing_group: Ⅲ
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3