Nitroterephthalic acid

• CAS: 610-29-7
• Catalog Number: ACM610297-2
• Category: Other Products
• Molecular Weight: 211.13
• Molecular Formula: C8H5NO6
• Synonyms: 2-NitroterephthalicAcid
• IUPAC Name: 2-nitroterephthalic acid
• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
• InChI: InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
• InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N
• Melting Point: 295 °C
• Appearance: Pale yellow solid
• Complexity: 296
• Covalently-Bonded Unit Count: 1
• EC Number: 210-217-4
• Exact Mass: 211.011687g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 15
• MDL Number: MFCD00007141
• Monoisotopic Mass: 211.011687g/mol
• NSC Number: 75848
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 2
• Signal Word: Warning
• XLogP3: 1