99-58-1

Name 3-BROMO-4-METHOXYBENZOIC ACID
CAS 99-58-1
EINECS(EC#) 202-768-4
Molecular Formula C8H7BrO3
MDL Number MFCD00020295
Molecular Weight 231.04
MOL File 99-58-1.mol
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Chemical Properties

Appearance White powder
Melting point  220-222 °C (lit.)
Boiling point  326.0±27.0 °C(Predicted)
density  1.625±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), methanol (Slightly)
form  Solid
pka 4.08±0.10(Predicted)
color  White to Off-White
BRN  2087585
InChI InChI=1S/C8H7BrO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
InChIKey BBPZABXVRBFWGD-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(OC)C(Br)=C1
CAS DataBase Reference 99-58-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
WGK Germany  3
HazardClass  IRRITANT
HS Code  29189900
Storage Class 11 - Combustible Solids

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