4-[(2,5-Dichlorophenyl)Sulfonyl]-3-Nitrobenzoic Acid
[CAS# 219930-11-7]

Identification

• Name: 4-[(2,5-Dichlorophenyl)Sulfonyl]-3-Nitrobenzoic Acid
• Synonyms: BENZOIC ACID,4-[(2,5-DICHLOROPHENYL)SULFONYL]-3-NITRO-; Maybridge1_001316
• Molecular Formula: C₁₃H₇Cl₂NO₆S
• Molecular Weight: 376.17
• CAS Registry Number: 219930-11-7
• SMILES: O=S(=O)(c1cc(Cl)ccc1Cl)c2ccc(C(=O)O)cc2[N+]([O-])=O
• InChI: 1S/C13H7Cl2NO6S/c14-8-2-3-9(15)12(6-8)23(21,22)11-4-1-7(13(17)18)5-10(11)16(19)20/h1-6H,(H,17,18)
• InChIKey: NGZIKFIAUWCONG-UHFFFAOYSA-N

Properties

• Density: 1.664g/cm³ (Cal.)
• Boiling point: 604.025°C at 760 mmHg (Cal.)
• Flash point: 319.103°C (Cal.)
• Refractive index: 1.648 (Cal.)