-
Name
2-Bromo-4'-fluoroacetophenone
- EINECS 206-955-1
- CAS No. 403-29-2
- Article Data136
- CAS DataBase
- Density 1.568 g/cm3
- Solubility
- Melting Point 47-49 °C(lit.)
- Formula C8H6BrFO
- Boiling Point 251.9 °C at 760 mmHg
- Molecular Weight 217.037
- Flash Point 106.1 °C
- Transport Information UN 3261 8/PG 2
- Appearance beige to light grey-green cryst. powder or flakes
- Safety 26-36/37/39-45-27
- Risk Codes 34
-
Molecular Structure
-
Hazard Symbols
Xi, 
C
- Synonyms Acetophenone,2-bromo-4'-fluoro- (7CI,8CI);1-(4-Fluorophenyl)-2-bromoethanone;2-Bromo-1-(4-fluorophenyl)-1-ethanone;Ethanone,2-bromo-1-(4-fluorophenyl)-;2-Bromo-1-(4-fluorophenyl)ethan-1-one;2-Bromo-p-fluoroacetophenone;4-Fluorophenacylbromide;4'-Fluoro-2-bromoacetophenone;4'-Fluoro-a-bromoacetophenone;Bromomethyl 4-fluorophenylketoxime;NSC 88343;p-Fluoro-a-bromoacetophenone;p-Fluorophenacyl bromide;a-Bromo-4-fluoroacetophenone;a-Bromo-4'-fluoroacetophenone;a-Bromo-p-fluoroacetophenone;
- PSA 17.07000
- LogP 2.40330
2-Bromo-4'-fluoroacetophenone Chemical Properties
Molecule structure of 2-Bromo-1-(4-fluorophenyl)ethan-1-one (CAS NO.403-29-2):
IUPAC Name: 2-Bromo-1-(4-fluorophenyl)ethanone
Molecular Weight: 217.035043 g/mol
Molecular Formula: C8H6BrFO
Density: 1.568 g/cm3
Melting Point: 47-49 °C(lit.)
Boiling Point: 251.9 °C at 760 mmHg
Flash Point: 106.1 °C
Index of Refraction: 1.548
Molar Refractivity: 44 cm3
Molar Volume: 138.3 cm3
Surface Tension: 41.7 dyne/cm
Enthalpy of Vaporization: 48.92 kJ/mol
Vapour Pressure: 0.0199 mmHg at 25 °C
Storage Temp.: keep cold
Sensitive: lachrymatory
XLogP3: 2.5
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 215.958606
MonoIsotopic Mass: 215.958606
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Canonical SMILES: C1=CC(=CC=C1C(=O)CBr)F
InChI: InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: ZJFWCELATJMDNO-UHFFFAOYSA-N
EINECS: 206-955-1
Product Categories: ACETYLHALIDE; Benzene series; Benzenes; Acetophenone series
2-Bromo-4'-fluoroacetophenone Safety Profile
Hazard Codes: 
C, 
Xi
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45-27
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.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S27:Take off immediately all contaminated clothing.
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
Hazard Note: Corrosive/Lachrymatory/Keep Cold
HazardClass: 8
PackingGroup: III
2-Bromo-4'-fluoroacetophenone Specification
2-Bromo-1-(4-fluorophenyl)ethan-1-one (CAS NO.403-29-2) is also named as 2-Bromo-1-(4-fluorophenyl)ethanone ; Acetophenone, 2-bromo-4'-fluoro- ; Ethanone, 2-bromo-1-(4-fluorophenyl)- ; p-Fluorophenacyl bromide ; 2-Bromo-1-(4-fluoro-phenyl)-ethanone ; 2-Bromo-4'-fluoroacetophenone . 2-Bromo-1-(4-fluorophenyl)ethan-1-one (CAS NO.403-29-2) is beige to light grey-green cryst. powder or flakes.
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