| Melting point |
180-183 °C (lit.) |
| Boiling point |
371.6±27.0 °C(Predicted) |
| Density |
1.64 |
| refractive index |
1.6280 (estimate) |
| storage temp. |
Sealed in dry,Room Temperature |
| form |
Powder |
| pka |
3.35±0.10(Predicted) |
| color |
Light yellow to cream |
| Water Solubility |
342.7mg/L(temperature not stated) |
| BRN |
783626 |
| Henry's Law Constant |
3.6×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| InChI |
InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11) |
| InChIKey |
DFXQXFGFOLXAPO-UHFFFAOYSA-N |
| SMILES |
C(O)(=O)C1=CC=C(Cl)C([N+]([O-])=O)=C1 |
| CAS DataBase Reference |
96-99-1(CAS DataBase Reference) |
| EWG's Food Scores |
1 |
| FDA UNII |
0MLZ915Q9K |
| NIST Chemistry Reference |
Benzoic acid, 4-chloro-3-nitro-(96-99-1) |
| EPA Substance Registry System |
Benzoic acid, 4-chloro-3-nitro- (96-99-1) |
| UNSPSC Code |
12352100 |
| NACRES |
NA.22 |
