CAS 917396-30-6 3-(Bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine (HCID 59834821)

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Grundinformationen

CAS: 917396-30-6
Standard-SMILES: Cc1nc(C(F)(F)F)ccc1CBr
InChIKey: UBILXBRMQFSGML-UHFFFAOYSA-N
Summenformel: C8H7BrF3N
Durchschnittliche Molmasse: 254,05 g/mol
Monoisotopische Masse: 252,9714

Namen und Bezeichner

Bevorzugter Name: 3-(Bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine
IUPAC: 3-(bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine
Englischer Name: 3-(Bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine
Summenformel: C8H7BrF3N
Molmasse: 254.05

Namen und Synonyme

3-(Bromomethyl)-2-methyl-6-(trifluoromethyl)pyridine917396-30-6DTXSID70733151RefChem:92568DTXCID80683895971-370-73-Bromomethyl-2-methyl-6-trifluoromethyl-pyridinePyridine, 3-(bromomethyl)-2-methyl-6-(trifluoromethyl)-MFCD129231353-(Bromomethyl)-2-methyl-6-(trifluoromethyl)pyridinSCHEMBL4484041SLB39630

Weitere Namen anzeigen

AKOS022185814AS-8701SB55407DB-203851G23069EN300-3047839F317337

Datenbank-Bezeichner

CAS: 917396-30-6
PubChem CID: 59834821
DTXSID: DTXSID70733151
EC Number: 971-370-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Siedepunkt: 225.4 · 225.4±35.0 °C(Predicted)
Dichte: 1.568 · 1.568±0.06 g/cm3(Predicted)
pka: 0.35 · 0.35±0.22(Predicted)
Aggregatzustand: solid
Farbe: White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.