CAS 164341-39-3 [5-(Trifluoromethyl)pyridin-2-yl]methanamine (HCID 3796375)

Substructure search Find similar structures

Basic information

CAS: 164341-39-3
Standard SMILES: NCc1ccc(C(F)(F)F)cn1
InChIKey: HVQOLQUEKRHKKJ-UHFFFAOYSA-N
Molecular formula: C7H7F3N2
Average molar mass: 176.14 g/mol
Monoisotopic mass: 176.05613288

Names & identifiers

Preferred name: [5-(Trifluoromethyl)pyridin-2-yl]methanamine
IUPAC: [5-(trifluoromethyl)-2-pyridinyl]methanamine
English name: 5-(Trifluoromethyl)-2-pyridinemethanamine
Molecular formula: C7H7F3N2
Molecular weight: 176.14

Names & synonyms

164341-39-3(5-(trifluoromethyl)pyridin-2-yl)methanamine[5-(trifluoromethyl)pyridin-2-yl]methanamine5-(TRIFLUOROMETHYL)-2-PYRIDINEMETHANAMINEDTXSID00396536RefChem:403710DTXCID90347395853-211-22-Pyridinemethanamine, 5-(trifluoromethyl)-2-Aminomethyl-5-(trifluoromethyl)pyridineMFCD04117761(5-Trifluoromethylpyridin-2-yl)methylamine

Show more names

CAS:164341-39-3Methyl-(5-trifluoroMethyl-pyridin-2-yl)-aMine2-Aminomethyl-5-(trifluoromethyl)pyridine hydrochloride

C-(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-METHYLAMINE2-(Aminomethyl)-5-(trifluoromethyl)pyridine1-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]METHANAMINE[5-(trifluoromethyl)-2-pyridyl]methanamine[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]METHYLAMINE(5-(trifluoromethyl)pyridin-2-yl)methylamineC-(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)METHYLAMINE HCLSCHEMBL2550872

Database identifiers

CAS: 164341-39-3
PubChem CID: 3796375
DTXSID: DTXSID00396536

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 146

Physicochemical properties

Boiling point: 200.3 · 200.3±35.0 °C(Predicted)
Density: 1.293 · 1.293±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.27 · 8.27±0.39(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933399990
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314-H318
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses(5-Trifluoromethylpyridin-2-yl)methylamine is a reagent used in the preparation of azaquinazolinecarboxaminde derivatives as p70S6K inhibitors.