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4-Bromo-4-Fluorobiphenyl

CAT: 0286-B21190Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-B21190Size:1 g
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CAS Number
398-21-0
UN Code
UN3152
Pictogram
07 - Irritant; 09 - Environmental hazard
UDF Signal Word
Warning
MDL Number
MFCD00017954
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H410 Very toxic to aquatic life with long-lasting effects.
DOT Name
Polyhalogenated Biphenyls, Solid
DOT Classification
Class 9
Packaging Group
PGII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P391 Collect spillage. Hazardous to the aquatic environment.

Chemical Information

4-Bromo-4'-fluoro-1,1'-biphenyl
CAS Number398-21-0
PubChem CID96882
IUPAC Name1-bromo-4-(4-fluorophenyl)benzene
Molecular FormulaC12H8BrF
Molecular Weight251.09
XLogP5.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity167
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)Br)F
InChI
InChI=1S/C12H8BrF/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChIKey
XFGPSHWWPIFPNL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-4'-fluoro-1,1'-biphenyl
CAS: 398-21-0
CID: 96882
Formula: C12H8BrF
MW: 251.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.09
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass249.97934
Monoisotopic Mass249.97934
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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