CAS 545394-83-0 2-Methyl-6-(trifluoromethyl)nicotinaldehyde (HCID 28875322)

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Basic information

CAS: 545394-83-0
Standard SMILES: Cc1nc(C(F)(F)F)ccc1C=O
InChIKey: HHGVNSFXEFHMGQ-UHFFFAOYSA-N
Molecular formula: C8H6F3NO
Average molar mass: 189.13 g/mol
Monoisotopic mass: 189.04014847

Names & identifiers

Preferred name: 2-Methyl-6-(trifluoromethyl)nicotinaldehyde
IUPAC: 2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
English name: 2-Methyl-6-(trifluoromethyl)nicotinaldehyde, 97%
Molecular formula: C8H6F3NO
Molecular weight: 189.13

Names & synonyms

2-methyl-6-(trifluoromethyl)nicotinaldehyde545394-83-02-methyl-6-(trifluoromethyl)pyridine-3-carbaldehydeMFCD11035943SCHEMBL3772488SCHEMBL27810310SCHEMBL30971512DTXSID50651723SBB090902AKOS006309398AB62693AS-8798

Show more names

2-Methyl-6-(trifluoromethyl)nicotinaldehyde, 97%3-Pyridinecarboxaldehyde, 2-methyl-6-(trifluoromethyl)-2-Methyl-6-(trifluoromethyl)pyridine-3-carboxaldehyde,97%2-Methyl-6-(trifluoroMethyl)pyridine-3-carboxaldehyde, 95%

FM88006SY229750DB-071870CS-0312985G30735EN300-64090232-methyl-6-trifluoromethyl-3-pyridinecarboxaldehydeZ1198304221

Database identifiers

CAS: 545394-83-0
PubChem CID: 28875322
DTXSID: DTXSID50651723

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 192

Physicochemical properties

Melting point: 157 · 157-161℃
Boiling point: 209.7 · 209.7±40.0 °C(Predicted)
Density: 1.312 · 1.312±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Sparingly Soluble (6.1E-4 g/L) (25°C).
pka: -0.54 · -0.54±0.22(Predicted)
form: solid
color: Pale yellow
Sensitive: Air Sensitive
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-26-36/37/39