IUPAC Name: | 2-(4-chloro-3-nitrobenzoyl)benzoic acid |
Description: | 2-(4-Chloro-3-nitrobenzoyl)benzoic acid (CAS# 85-54-1) is an intermediate used in the synthesis of indanthrone derivatives. It is related to Chlorthalidone (C427500). |
Molecular Weight: | 305.67 |
Molecular Formula: | C14H8ClNO5 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19) |
InChI Key: | RITAQDHCJBLSSL-UHFFFAOYSA-N |
Boiling Point: | 548.4 °C |
Melting Point: | 198-201 °C |
Purity: | 98 % |
Density: | 1.499 g/cm3 |
Appearance: | Very slightly beige powder. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007082 |
LogP: | 3.70060 |
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