2,2',2'',2'''-(1,4-Phenylenedinitrilo)Tetraacetic Acid
[CAS# 1099-02-1]

Identification

• Name: 2,2',2'',2'''-(1,4-Phenylenedinitrilo)Tetraacetic Acid
• Synonyms: 2-({4-[bis(carboxymethyl)amino]phenyl}(carboxymethyl)amino)acetic acid; N,N,N',N'-1,4-PHENYLENEDIAMINETETRAACETIC ACID
• Molecular Formula: C₁₄H₁₆N₂O₈
• Molecular Weight: 340.29
• CAS Registry Number: 1099-02-1
• SMILES: C1=CC(=CC=C1N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
• InChI: 1S/C14H16N2O8/c17-11(18)5-15(6-12(19)20)9-1-2-10(4-3-9)16(7-13(21)22)8-14(23)24/h1-4H,5-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
• InChIKey: IDQJPXPEIIEMQI-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Melting point: 185°C (Expl.)
• Boiling point: 744.2±60.0°C at 760 mmHg (Cal.)
• Flash point: 403.9±32.9°C (Cal.)
• Refractive index: 1.684 (Cal.)

Safety Data

• Safety Description: WARNING: Irritates lungs, eyes, skin