2,3,5,6-Tetrafluorobenzyl alcohol

HCID 2734029CAS 4084-38-2

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1c(F)c(F)cc(F)c1F
InChIKey: AGWVQASYTKCTCC-UHFFFAOYSA-N
Molecular formula: C7H4F4O
Average molar mass: 180.1 g/mol
Monoisotopic mass: 180.0198274

Names & identifiers

Preferred name: 2,3,5,6-Tetrafluorobenzyl alcohol
IUPAC: (2,3,5,6-tetrafluorophenyl)methanol
English name: 2,3,5,6-Tetrafluorobenzyl alcohol
Molecular formula: C7H4F4O
Molecular weight: 180.1

Names & synonyms

2,3,5,6-Tetrafluorobenzyl alcohol4084-38-2(2,3,5,6-tetrafluorophenyl)methanolDTXSID20370090FB-AI compoundRefChem:81372DTXCID00321126443-840-7609-872-22,3,5,6-TetrafluorobenzylalcoholMFCD00792428(2,3,5,6-tetrafluorophenyl)methan-1-ol

Show more names

(2,3,5,6-TETRAFLUORO-PHENYL)-METHANOL2,3,5,6-TetrafRARECHEM AL BD 04172,3,5,6-Tetrafluoro BenzylTetrafluoro Benzyl Alcohol2,3,5,6-tetrafluorobenzylol2,3,5,6-TETRAFLUOROBENYL ALCOHOL2,3,5,6-Tetrafluorobenzyl Methanol2,3,5,6-Tetrafluorobenzylalcohol98%

Benzenemethanol, 2,3,5,6-tetrafluoro-SCHEMBL358960SCHEMBL1070979SCHEMBL9568991SCHEMBL28675389SBB063323AKOS005063788AC-8275

Database identifiers

CAS: 4084-38-2
PubChem CID: 2734029
DTXSID: DTXSID20370090
EC Number: 443-840-7、609-872-2
Nikkaji: J837.771E

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 140

Physicochemical properties

Melting point: 32 · 32-38 °C
Boiling point: 220 · 220-225 °C
Density: 1.499 · 1.499
Flash point: 62 °C · 62 °C
storage temp.: Sealed in dry,Room Temperature
form: powder to lump to clear liquid
pka: 12.94 · 12.94±0.10(Predicted)
color: White or Colorless to Light yellow
CAS DataBase Reference: 4084 · 4084-38-2(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301-H317-H319
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
HazardClass: IRRITANT
HS Code: 2906290090 · 2906290090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning