Basic information
- CAS
536-20-9- Standard SMILES
O=C(O)c1cc(C(=O)O)nc(C(=O)O)c1- InChIKey
CHGYKYXGIWNSCD-UHFFFAOYSA-N- Molecular formula
- C8H5NO6
- Average molar mass
- 211.13 g/mol
- Monoisotopic mass
- 211.01168688
Overview
structure in first source
Names & identifiers
- Preferred name
- Pyridine-2,4,6-tricarboxylic acid
- IUPAC
- pyridine-2,4,6-tricarboxylic acid
- English name
- Pyridine-2,4,6-tricarboxylic acid
- Molecular formula
- C8H5NO6
- Molecular weight
- 211.13
Names & synonyms
pyridine-2,4,6-tricarboxylic acidRefChem:930340Py-2,4,6-TCA536-20-9collidinic acid2,4,6-Pyridinetricarboxylic acidTrimesitic acidMFCD00778565NSC403251NSC-403251BD2YV5DB4G2,4,6-Tricarboxypyridine
Show more names
DK7724DK7452Pyridine-2,4,6-tricarboxylic acid ISO 9001：2015 REACH
Pyridine-2,4,6-tricarboxylic acid - H3TDCPyridine-2,4,6-tricarboxylicacidUNII-BD2YV5DB4GNCIStruc1_000914NCIStruc2_001183SCHEMBL3363112,6-Pyridinetricarboxylic acidorb3215594
Database identifiers
- CAS
536-20-9- PubChem CID
- 345552
- DTXSID
DTXSID40323169- ChEMBL
CHEMBL1321223- UNII
- BD2YV5DB4G
- Nikkaji
- J2.086.831G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 227 °C · 227 °C (decomp)
- Boiling point
- 732.7 · 732.7±60.0 °C(Predicted)
- Density
- 1.755 · 1.755±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 2.6 · 2.60±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H5NO6/c10-6(11)3-1-4(7(12)13)9-5(2-3)8(14)15/h1-2H,(H,10,11)(H,12,13)(H,14,15)
- InChIKey
- CHGYKYXGIWNSCD-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC(C(O)=O)=CC(C(O)=O)=C1
- FDA UNII
- 2 YV5DB4G · BD2YV5DB4G
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesPyridine-2,4,6-tricarboxylic acid is used as a ligand in the synthesis of MOF materials.
Suppliers53 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北斯麦尔医药科技有限公司15527913960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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