Molecular Structure of Phenol,4-bromo-2,6-difluoro- (CAS No. 104197-13-9):
Systematic Name: 4-Bromo-2,6-difluorophenol
Synonyms: 2,6-Difluoro-4-bromophenol ; 4-Bromo-2,6-difluorophenol
Molecular Formula: C6H3BrF2O
Molecular Weight: 208.99
CAS Registry Number: 104197-13-9
Index of Refraction: 1.549
Molar Refractivity: 35.81 cm3
Molar Volume: 112.4 cm3
Surface Tension: 42.4 dyne/cm
Density: 1.858 g/cm3
Flash Point: 62.8 °C
Enthalpy of Vaporization: 43.36 kJ/mol
Boiling Point: 180.2 °C at 760 mmHg
Vapour Pressure: 0.668 mmHg at 25°C
Melting Point: 50°C
BRN: 8543473
Product Categories: Aromatic Phenols;Phenol&Thiophenol&Mercaptan
Structure Descriptors of Phenol,4-bromo-2,6-difluoro- (CAS No. 104197-13-9):
SMILES: Fc1c(O)c(F)cc(Br)c1
InChI: InChI=1/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey: GPRPSJPFAAGLCA-UHFFFAOYAU
Std. InChI: InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
Std. InChIKey: GPRPSJPFAAGLCA-UHFFFAOYSA-N
Safety Information of Phenol,4-bromo-2,6-difluoro- (CAS No. 104197-13-9):
Hazard Codes: Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Harmful
HazardClass: IRRITANT
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