PRODUCT 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 |
pka | 3.46±0.10(Predicted) |
form | powder to crystal |
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) |
NIST Chemistry Reference | 3,5-Dichlorobenzoic acid(51-36-5) |
EPA Substance Registry System | 3,5-Dichlorobenzoic acid (51-36-5) |
Description and Uses
3,5-Dichlorobenzoic acid is used in organic synthesis and pesticide and pharmaceutical intermediates. It can be used to synthesize 3,5-Dichloro-N-(4-hydroxyphenethyl)benzamide and (3,5-Dichlorophenyl)-(4-fluorophenyl)methanone.
Safety
Symbol(GHS) | GHS07 |
Signal word | Warning |
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. |