CAS 113265-44-4 (2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol (HCID 2760122)

Substructure search Find similar structures

Basic information

CAS: 113265-44-4
Standard SMILES: Cc1nc(C(F)(F)F)ccc1CO
InChIKey: PXDNFCWBWHATSU-UHFFFAOYSA-N
Molecular formula: C8H8F3NO
Average molar mass: 191.15 g/mol
Monoisotopic mass: 191.05579836

Names & identifiers

Preferred name: (2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol
IUPAC: [2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
English name: [2-Methyl-6-(trifluoromethyl)pyridin-3-yl]methanol
Molecular formula: C8H8F3NO
Molecular weight: 191.15

Names & synonyms

(2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol681260-50-4[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methanolDTXSID60375029RefChem:206170DTXCID40326059113265-44-42-Methyl-6-(Trifluoromethyl)pyridine-3-methanolMFCD034079893-Pyridinemethanol, 2-methyl-6-(trifluoromethyl)-SCHEMBL2866080SBB091250

Show more names

2-methyl-6-(trifluoromethyl)-3-Pyridinemethanol[2-Methyl-6-(trifluoromethyl)pyridin-3-yl]methanol97%

AKOS006346486AB14056FS-1439DB-073967CS-0312681H59425EN300-8093389[2-methyl-6-(trifluoromethyl)-3-pyridyl]methanol

Database identifiers

CAS: 113265-44-4、681260-50-4
PubChem CID: 2760122
DTXSID: DTXSID60375029
EC Number: 179-529-5、672-970-9

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 171

Physicochemical properties

Boiling point: 227 ℃ · 227℃
Density: 1.306 · 1.306
Flash point: 91 ℃ · 91℃
storage temp.: 2 · 2-8°C
pka: 13.39 · 13.39±0.10(Predicted)
Symbol(GHS): 7 · GHS07
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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.