2,5-Dibromoterephthalic acid

• CAS: 13731-82-3
• Catalog Number: ACM13731823-2
• Category: Bromine Series
• Molecular Weight: 323.92
• Molecular Formula: C8H4O4Br2
• Synonyms: 2,5-Dibromobenzene-1,4-dicarboxylic acid
• IUPAC Name: 2,5-dibromoterephthalic acid
• InChI: InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
• InChI Key: VUTICWRXMKBOSF-UHFFFAOYSA-N
• Melting Point: 318 °C
• Appearance: Off-white solid
• Storage: Store under inert gas
• Complexity: 230
• CompoundIs Canonicalized: Yes
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 237-300-8
• Exact Mass: 323.84558g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• MDL Number: MFCD00204593
• Monoisotopic Mass: 321.84763g/mol
• NSC Number: 115430
• 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
• Topological Polar Surface Area: 74.6Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: 63JN659KM5
• XLogP3: 2.4

Custom Q&A

What is the molecular formula of 2,5-Dibromoterephthalic acid?

The molecular formula is C8H4Br2O4.

What is the molecular weight of 2,5-Dibromoterephthalic acid?

The molecular weight is 323.92 g/mol.

What is the IUPAC name of 2,5-Dibromoterephthalic acid?

The IUPAC name is 2,5-dibromoterephthalic acid.

What is the InChI of 2,5-Dibromoterephthalic acid?

The InChI is InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14).

What is the InChIKey of 2,5-Dibromoterephthalic acid?

The InChIKey is VUTICWRXMKBOSF-UHFFFAOYSA-N.

What is the canonical SMILES of 2,5-Dibromoterephthalic acid?

The canonical SMILES is C1=C(C(=CC(=C1Br)C(=O)O)Br)C(=O)O.

What is the CAS number of 2,5-Dibromoterephthalic acid?

The CAS number is 13731-82-3.

What is the EC number of 2,5-Dibromoterephthalic acid?

The EC number is 237-300-8.

What is the UNII of 2,5-Dibromoterephthalic acid?

The UNII is 63JN659KM5.