CAS 126058-97-7 4-Amino-2,6-difluorophenol (HCID 2778764)

Substructure search Find similar structures

Basic information

CAS: 126058-97-7
Standard SMILES: Nc1cc(F)c(O)c(F)c1
InChIKey: RFEOSYDHBGPXCU-UHFFFAOYSA-N
Molecular formula: C6H5F2NO
Average molar mass: 145.11 g/mol
Monoisotopic mass: 145.03392022

Names & identifiers

Preferred name: 4-Amino-2,6-difluorophenol
IUPAC: 4-amino-2,6-difluorophenol
English name: 4-Amino-2,6-difluorophenol
Molecular formula: C6H5F2NO
Molecular weight: 145.11

Names & synonyms

4-Amino-2,6-difluorophenol126058-97-7DTXSID70381116RefChem:289784DTXCID50332141813-060-5Phenol, 4-amino-2,6-difluoro-4-amino-2,6-difluoro-phenolMFCD030944933,5-Difluoro-4-hydroxyaniline2,6-difluoro-4-aminophenolSCHEMBL1137323

Show more names

4-amino-2,6-difluoropheneol4-Amino-2,6-difluorophenol ISO 9001：2015 REACH

RFEOSYDHBGPXCU-UHFFFAOYSA-N4-Amino-2,6-difluorophenol, techCS-M2171CK1180SBB069980AKOS009158250PS-8966AC-25959

Database identifiers

CAS: 126058-97-7
PubChem CID: 2778764
DTXSID: DTXSID70381116
EC Number: 813-060-5
Nikkaji: J2.422.545C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 0 °C · 0°C
Boiling point: 0 °C · 0°C
Density: 1.472 · 1.472±0.06 g/cm3(Predicted)
Flash point: 0 °C · 0°C
storage temp.: Sealed in dry,Room Temperature
pka: 7.72 · 7.72±0.23(Predicted)
form: solid
color: Brown
CAS DataBase Reference: 126058 · 126058-97-7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HS Code: 2908990000 · 2908990000

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.