4-Bromo-2,6-difluorophenol

HCID 2736292

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Basic information

CAS: 104197-13-9
Standard SMILES: Oc1c(F)cc(Br)cc1F
InChIKey: GPRPSJPFAAGLCA-UHFFFAOYSA-N
Molecular formula: C6H3BrF2O
Average molar mass: 208.99 g/mol
Monoisotopic mass: 207.93353326

Names & identifiers

Preferred name: 4-Bromo-2,6-difluorophenol
IUPAC: 4-bromo-2,6-difluorophenol
English name: 4-Bromo-2,6-difluorophenol
Molecular formula: C6H3BrF2O
Molecular weight: 208.99

Names & synonyms

4-Bromo-2,6-difluorophenol104197-13-9DTXSID10371253RefChem:290598DTXCID30322287642-788-44-bromo-2,6-difluoro-phenolMFCD00236213Phenol, 4-bromo-2,6-difluoro-2,6-difluoro-4-bromophenol2,6 difluoro-4-bromophenolSCHEMBL13029

Show more names

CAS:104197-13-94-Bromo-2,6-difL4-BROMO-2,6-DIFLUOROPHE4-Bromo-2,6-difluorophenol98%4-Bromo-2,6-difluorophenol 98%4-BROMO-2,6-DIFLUOROPHENOL ISO 9001：2015 REACH2,6-Difluoro-4-Bromophenol 4-Bromo-2,6-Difluoro Phenol

2,6-difluoro-4-bromo-phenol2.6-difluoro-4-bromophenolPhenol,4-bromo-2,6-difluoro-GPRPSJPFSBB094133AKOS015889715AC-1586CS-W015183

Database identifiers

CAS: 104197-13-9
PubChem CID: 2736292
DTXSID: DTXSID10371253
EC Number: 642-788-4
Nikkaji: J1.298.344A

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 50 °C · 50°C
Boiling point: 180.2 · 180.2±35.0 °C(Predicted)
Density: 1.858 · 1.858±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 6.89 · 6.89±0.23(Predicted)
Appearance: Off-white to light yellow Solid
BRN: 8543473 · 8543473
InChI: InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey: GPRPSJPFAAGLCA-UHFFFAOYSA-N
SMILES: C1(O)=C(F)C=C(Br)C=C1F
CAS DataBase Reference: 104197 · 104197-13-9(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: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2908190090 · 2908190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.