5-Bromoisophthalic acid

• CAS: 23351-91-9
• Catalog Number: ACM23351919
• Category: Bromine Series
• Molecular Weight: 245.03
• Molecular Formula: C8H5BrO4
• Synonyms: 5-Bromo-1,3-benzenedicarbonicacid,5-Bromo-1,3-benzenedicarboxylicacid,5-Bromoisophthalicacid
• IUPAC Name: 5-bromobenzene-1,3-dicarboxylic acid
• Canonical SMILES: C1=C(C=C(C=C1C(=O)O)Br)C(=O)O
• InChI: 1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
• InChI Key: JATKASGNRMGFSW-UHFFFAOYSA-N
• Melting Point: 270-275 °C
• Flash Point: Not applicable
• Appearance: White to Almost white powder to crystal
• Complexity: 206
• Covalently-Bonded Unit Count: 1
• EC Number: 245-602-6
• Exact Mass: 243.93712g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 13
• MDL Number: MFCD00152019
• Monoisotopic Mass: 243.93712g/mol
• 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: 1.7

Custom Q&A

What is the PubChem CID for 5-Bromoisophthalic acid?

The PubChem CID for 5-Bromoisophthalic acid is 90073.

What is the molecular formula of 5-Bromoisophthalic acid?

The molecular formula of 5-Bromoisophthalic acid is C8H5BrO4.

What is the molecular weight of 5-Bromoisophthalic acid?

The molecular weight of 5-Bromoisophthalic acid is 245.03 g/mol.

What is the IUPAC name of 5-Bromoisophthalic acid?

The IUPAC name of 5-Bromoisophthalic acid is 5-bromobenzene-1,3-dicarboxylic acid.

What is the InChI for 5-Bromoisophthalic acid?

The InChI for 5-Bromoisophthalic acid is InChI=1S/C8H5BrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13).

What is the InChIKey for 5-Bromoisophthalic acid?

The InChIKey for 5-Bromoisophthalic acid is JATKASGNRMGFSW-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromoisophthalic acid?

The canonical SMILES of 5-Bromoisophthalic acid is C1=C(C=C(C=C1C(=O)O)Br)C(=O)O.

What is the CAS number of 5-Bromoisophthalic acid?

The CAS number of 5-Bromoisophthalic acid is 23351-91-9.

What is the European Community (EC) number of 5-Bromoisophthalic acid?

The European Community (EC) number of 5-Bromoisophthalic acid is 245-602-6.

What is the topological polar surface area of 5-Bromoisophthalic acid?

The topological polar surface area of 5-Bromoisophthalic acid is 74.6Ų.