2,3,5-Trifluorobenzyl alcohol

HCID 2777030CAS 67640-33-9

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1cc(F)cc(F)c1F
InChIKey: IAYKYKBQMLBYAI-UHFFFAOYSA-N
Molecular formula: C7H5F3O
Average molar mass: 162.11 g/mol
Monoisotopic mass: 162.02924944

Names & identifiers

Preferred name: 2,3,5-Trifluorobenzyl alcohol
IUPAC: (2,3,5-trifluorophenyl)methanol
English name: 2,3,5-Trifluorobenzyl alcohol
Molecular formula: C7H5F3O
Molecular weight: 162.11

Names & synonyms

67640-33-92,3,5-Trifluorobenzyl alcoholDTXSID40380338RefChem:244198DTXCID80331364(2,3,5-trifluorophenyl)methanolMFCD00083542(2,3,5-trifluorophenyl)methan-1-ol2,3,5-TrifluorobenzylalcoholBenzenemethanol, 2,3,5-trifluoro-SCHEMBL698821SCHEMBL2652556

Show more names

RARECHEM AL BD 03452,3,5-Trifluorbenzyl alcohol2,3,5-Trifluorobenzenemethanol2,3,5-Trifluorobenzyl alcohol 97%2,3,5-Trifluorobenzyl alcohol, 97+%2,3,5-Trifluorobenzyl alcohol ISO 9001：2015 REACH

SCHEMBL16954350SCHEMBL29518822IAYKYKBQMLBYAI-UHFFFAOYSA-NSBB087573AKOS006229556JS-4104SB84215SY061868

Database identifiers

CAS: 67640-33-9
PubChem CID: 2777030
DTXSID: DTXSID40380338
EC Number: 671-911-4

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 131

Physicochemical properties

Boiling point: 183.7 · 183.7±35.0 °C(Predicted)
Density: 1.398 · 1.398±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 13.27 · 13.27±0.10(Predicted)
form: liquid
color: Clear
CAS DataBase Reference: 67640 · 67640-33-9(CAS DataBase Reference)
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: 26 · 26-36
HazardClass: IRRITANT
HS Code: 2906290090 · 2906290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.