4-Fluoro-2,6-bis(hydroxymethyl)phenol

HCID 2393545

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Basic information

CAS: 71643-58-8
Standard SMILES: OCc1cc(F)cc(CO)c1O
InChIKey: GETCNIWYTGPBMQ-UHFFFAOYSA-N
Molecular formula: C8H9FO3
Average molar mass: 172.15 g/mol
Monoisotopic mass: 172.05357237

Names & identifiers

Preferred name: 4-Fluoro-2,6-bis(hydroxymethyl)phenol
IUPAC: 4-fluoro-2,6-bis(hydroxymethyl)phenol
English name: 4-Fluoro-2,6-bis-hydroxymethyl-phenol
Molecular formula: C8H9FO3
Molecular weight: 172.15

Names & synonyms

4-fluoro-2,6-bis(hydroxymethyl)phenol71643-58-8DTXSID40368454RefChem:292748DTXCID50319492867-696-34-Fluoro-2,6-bis-hydroxymethyl-phenol(5-Fluoro-2-hydroxy-1,3-phenylene)dimethanol1,3-Benzenedimethanol,5-fluoro-2-hydroxy-2,6-Bis(hydroxymethyl)-4-fluorophenolSCHEMBL1057960GETCNIWYTGPBMQ-UHFFFAOYSA-N

Show more names

5-Fluoro-2-hydroxy-1,3-benzenedimethanol

MFCD03040788AKOS000117100SB85141SY135731CS-0220370EN300-06500G35760F640067

Database identifiers

CAS: 71643-58-8
PubChem CID: 2393545
DTXSID: DTXSID40368454
EC Number: 867-696-3
Nikkaji: J1.698.808A

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 60.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 128

Physicochemical properties

Melting point: 137 · 137-139 °C
Boiling point: 309.5 · 309.5±11.0 °C(Predicted)
Density: 1.438 · 1.438±0.06 g/cm3(Predicted)
pka: 9.91 · 9.91±0.23(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362