CAS 79456-28-3 6-Chloro-5-(trifluoromethyl)pyridin-2-amine (HCID 13064153)

Substructure search Find similar structures

Basic information

CAS: 79456-28-3
Standard SMILES: Nc1ccc(C(F)(F)F)c(Cl)n1
InChIKey: FXLKGHMCRNENON-UHFFFAOYSA-N
Molecular formula: C6H4ClF3N2
Average molar mass: 196.56 g/mol
Monoisotopic mass: 196.0015103

Names & identifiers

Preferred name: 6-Chloro-5-(trifluoromethyl)pyridin-2-amine
IUPAC: 6-chloro-5-(trifluoromethyl)pyridin-2-amine
English name: 6-chloro-5-(trifluoromethyl)pyridin-2-amine
Molecular formula: C6H4ClF3N2
Molecular weight: 196.56

Names & synonyms

6-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE79456-28-3DTXSID90517011RefChem:541753DTXCID60467817892-637-3MFCD118485736-CHLORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YLAMINE2-Amino-6-chloro-5-(trifluoromethyl)pyridine2-Amino-6-chloro-5-trifluoromethylpyridineSCHEMBL14277782-Pyridinamine, 6-chloro-5-(trifluoromethyl)-

Show more names

Benzoylchloride,5-(dimethylamino)-6-Chloro-5-(trifluoromethyl)-2-pyridinamine3-chloro-4-(trifluoromethyl)aniline79456-28-32H-Pyrrol-2-one,1,5-dihydro-3-hydroxy-4-[3-methyl-4-(phenylmethoxy)benzoyl]-1-[3-(4-morpholinyl)propyl]-5-(9-pyridinyl)-

AKOS016007275AB64817SCHEMBL29464871CS-W009282DS-17296SY0568022-amino-5-trifluoromethyl-6-chloropyridineDB-108054

Database identifiers

CAS: 79456-28-3
PubChem CID: 13064153
DTXSID: DTXSID90517011

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 161

Physicochemical properties

Boiling point: 264.5 · 264.5±40.0 °C(Predicted)
Density: 1.507 · 1.507±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 0.51 · 0.51±0.37(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
RIDADR: 2811 · 2811
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

ridadr: 2811
hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 6.1
packing_group: Ⅲ
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501