Dimethyl 3,3'-({4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-3-methylphenyl}imino)dipropanoate
[CAS# 79044-54-5]

Identification

• Name: Dimethyl 3,3'-({4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-3-methylphenyl}imino)dipropanoate
• Synonyms: methyl N-[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]-N-(3-methoxy-3-oxopropyl)-β-alaninate
• Molecular Formula: C₂₂H₂₂Cl₂N₄O₄S
• Molecular Weight: 509.41
• CAS Registry Number: 79044-54-5
• EINECS: 279-042-9
• SMILES: COC(=O)CCN(CCC(=O)OC)c3ccc(N=Nc1nc2cc(Cl)c(Cl)cc2s1)c(C)c3
• InChI: 1S/C22H22Cl2N4O4S/c1-13-10-14(28(8-6-20(29)31-2)9-7-21(30)32-3)4-5-17(13)26-27-22-25-18-11-15(23)16(24)12-19(18)33-22/h4-5,10-12H,6-9H2,1-3H3
• InChIKey: LPUHXJDARPBXOF-UHFFFAOYSA-N

Properties

• Density: 1.4g/cm³ (Cal.)
• Boiling point: 629.8°C at 760 mmHg (Cal.)
• Flash point: 334.691°C (Cal.)