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3,5-Dichlorobenzoic acid Structure

3,5-Dichlorobenzoic acid

Chemical Properties

Melting point 184-187 °C (lit.)
Boiling point 273.68°C (rough estimate)
Density  1.4410 (rough estimate)
refractive index  1.4590 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 3.46±0.10(Predicted)
color  White to Almost white
Water Solubility  147.1mg/L(temperature not stated)
BRN  2044776
InChI InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey CXKCZFDUOYMOOP-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(Cl)=CC(Cl)=C1
CAS DataBase Reference 51-36-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 7BAA7R70GN
NIST Chemistry Reference 3,5-Dichlorobenzoic acid(51-36-5)
EPA Substance Registry System 3,5-Dichlorobenzoic acid (51-36-5)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
RTECS  DG7350000
HazardClass  IRRITANT
HS Code  29163990
Toxicity mouse,LD50,intraperitoneal,237mg/kg (237mg/kg),BEHAVIORAL: REGIDITYBEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY),Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.
NFPA 704:
0
2 0

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