59748-90-2

Name 4-Bromo-2-chlorobenzoic acid
CAS 59748-90-2
EINECS(EC#) 261-911-9
Molecular Formula C7H4BrClO2
MDL Number MFCD00040903
Molecular Weight 235.46
MOL File 59748-90-2.mol
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Chemical Properties

Melting point  171-175 °C
Boiling point  319.1±27.0 °C(Predicted)
density  1.809±0.06 g/cm3(Predicted)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  DMSO, Methanol
form  Solid
pka 2.68±0.25(Predicted)
color  Off-White
InChI InChI=1S/C7H4BrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey JAVZWSOFJKYSDY-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(Br)C=C1Cl
CAS DataBase Reference 59748-90-2(CAS DataBase Reference)
NIST Chemistry Reference 4-Bromo-2-chlorobenzoic acid(59748-90-2)

Safety Data

Hazard Codes  Xn,N,Xi
Risk Statements 
R22:Harmful if swallowed.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
PackingGroup  Ⅲ
HS Code  29163990
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Aquatic Acute 1

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