112704-79-7

Name 4-Bromo-2-fluorobenzoic acid
CAS 112704-79-7
EINECS(EC#) 630-232-3
Molecular Formula C7H4BrFO2
MDL Number MFCD00143263
Molecular Weight 219.01
MOL File 112704-79-7.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  211-215 °C (lit.)
Boiling point  289.4±25.0 °C(Predicted)
density  1.7218 (rough estimate)
refractive index  1.4240 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Solubility in methanol, very faint turbidity.
form  Solid
pka 3.04±0.10(Predicted)
color  White
BRN  6323931
InChI InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey ZQQSRVPOAHYHEL-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(Br)C=C1F
CAS DataBase Reference 112704-79-7(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 4-bromo-2-fluoro- (112704-79-7)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
Hazard Note  Irritant
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29163900
Storage Class 11 - Combustible Solids

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