Benzenepentacarboxylic Acid
Basic information
- CAS
1585-40-6- Standard SMILES
O=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O- InChIKey
QNSOHXTZPUMONC-UHFFFAOYSA-N- Molecular formula
- C11H6O10
- Average molar mass
- 298.16 g/mol
- Monoisotopic mass
- 297.99609638
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Benzenepentacarboxylic Acid
- IUPAC
- benzene-1,2,3,4,5-pentacarboxylic acid
- English name
- BENZENEPENTACARBOXYLIC ACID
- Molecular formula
- C11H6O10
- Molecular weight
- 298.16
Names & synonyms
BENZENEPENTACARBOXYLIC ACID1585-40-6PentacarboxybenzeneBenzenepentacarboxylate1XI0AN8BWSDTXSID80166436NSC-12096RefChem:563557DTXCID4088927216-441-9benzene-1,2,3,4,5-pentacarboxylic acidPentacarboxy benzene
Show more names
BenzenepentacarboxylicAciBenzenepentacarboxylic Acid >BENZENEPENTACARBOXYLIC ACID 98+%Benzenepentacarboxylic Acid, >99%Benzenepentacarboxylic Acid, 10 mM in DMSOBenzenepentacarboxylic Acid,Inhibitor,inhibit
1,2,3,4,5-Benzenepentacarboxylic acidMFCD00020281C11H6O10NSC 12096SCHEMBL432193NSC120961,2,3,4,5-Benzenepentacarboxylic acid #HY-100512
Database identifiers
- CAS
1585-40-6- PubChem CID
- 15314
- DTXSID
DTXSID80166436- ChEMBL
CHEMBL1922186- UNII
- 1XI0AN8BWS
- EC Number
- 216-441-9
- Nikkaji
- J138.258F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzoic Acid Derivatives
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 222 · 222-227 °C (decomp)
- Boiling point
- 399.59 °C · 399.59°C (rough estimate)
- Density
- 1.7722 · 1.7722 (rough estimate)
- refractive index
- 1.733 · 1.7330 (estimate)
- form
- powder to crystal
- pka
- 1 · pK1: 1.80;pK2: 2.73;pK3: 3.96;pK4: 5.25;pK5: 6.46 (25°C)
- color
- White to Almost white
- Water Solubility
- almost transparency
- CAS DataBase Reference
- 1585 · 1585-40-6
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2917.39.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesBenzenepentacarboxylic acid is a fluorescent dye that detects and scavenge HO radicals.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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