compound introduction
异烟酸是一种吡啶二羧酸，在 2 和 5 位携带羧基。它是异烟酸根(1-)的共轭酸(1-)。
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pyridine-2,5-dicarboxylic acid
Dangerous GoodsCAS number：100-26-5 molecular formula：C7H5NO4
overview
Specs
| Chinese alias | 2,5-吡啶二羧酸 | 2,5-二羧酸吡啶 | 吡啶-2,5-二羧酸 | ||
| English alias | 6-carboxy-nicotinic acid | 1189695-39-3 | AM20050593 | FG-0457 | SY007555 | F0001-0013 | 2,5-Pyridinedicarboxylic acid | AB00376873-03 | pyridine carboxylate, 6b | AKOS000119637 | NCGC00336418-01 | W-204355 | Pyridinedicarboxylic acid-(2,5) | ||
| CAS number | 100-26-5 | molecular formula | C7H5NO4 |
| molecular weight | 167.12 | Exact mass | ≥98% |
| PSA | 87.5 | logp | 0.2 |
numbering system
| CAS | 100-26-5 |
| UNII | 4K1KGR926X |
| ChEBI ID | 46865 |
| Wikidata | Q27120714 |
| ChEMBL ID | CHEMBL88972 |
| NSC Number | NSC Number: NSC177 |
| PubChem CID | 7493 |
| Deprecated CAS | 1355602-04-8 |
| Nikkaji Number | J4.981F |
| DSSTox Substance ID | DTXSID3059210 |
| Metabolomics Workbench ID | 56717 |
| European Community (EC) Number | 202-834-2 |
| PubChem Reference Collection SID | 505787425 |
| MEP ID | _25Q1B3AQ8 |
physicochemical properties
| XLogP3 | XLogP3-AA: 0.2 |
| Complexity | 204 |
| Exact Mass | 167.02185764 |
| Formal Charge | 0 |
| Vapor Pressure | 0.0000061 [mmHg] |
| Chemical Classes | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Heavy Atom Count | 12 |
| Molecular Weight | 167.12 |
| Monoisotopic Mass | 167.02185764 |
| Isotope Atom Count | 0 |
| Physical Description | Solid; Light brown solid; [Aldrich MSDS] |
| Rotatable Bond Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Topological Polar Surface Area | 87.5 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Hazards Summary：
An irritant; [Aldrich MSDS]
Ecotoxicity Values：
USDA APHIS Chemical Effects: collection=usda_chemeffect&query_type=synonym&query='^100-26-5$'
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Isocinchomeronic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
STOT SE 3 (98%)
Production methods and uses
purpose
Uses：
Sources/Uses: Used to make nicotinic acid
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-26-5 | 2,5-Pyridinedicarboxylic acid.pdf
