5-Nitroisophthalic Acid

• Catalog Number: ACM618882
• Product Name: 5-Nitroisophthalic Acid
• CAS: 618-88-2
• Category: Heterocyclic Organic Compound
• Synonyms: 5-nitro-3-benzenedicarboxylicacid;3-NITRO-5-CARBOXYLIC ACID BENZOIC ACID;5-NITROBENZENE-1,3-DICARBOXYLIC ACID;5-nitro-1,3-benzenedicarboxylic acid;5-NITROISOPHTHALIC ACID;NITROISOPHTHALIC-5 ACID;NITRO ISOPHTHALIC ACID;5-NIPA
• IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid
• Molecular Weight: 211.13
• Molecular Formula: C8H5NO6
• Canonical SMILES: C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
• InChI: InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
• InChI Key: NBDAHKQJXVLAID-UHFFFAOYSA-N
• Melting Point: 261 °C
• Flash Point: 120°C
• Appearance: White to Light yellow powder to crystal
• Storage: Store under inert gas
• Complexity: 274
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 1
• EC Number: 210-568-3
• 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: MFCD00007254
• Monoisotopic Mass: 211.011687g/mol
• NSC Number: 66545
• 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
• Safety Description: 26-36-22
• Signal Word: Warning
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• UNII: G7RZ7LC76U
• XLogP3: 0.8