Basic information
- CAS
53389-01-8- Standard SMILES
CCOC(=O)c1cc(Cl)cc(C(=O)OCC)n1- InChIKey
XQVRVZXJZVVBLW-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO4
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0454856
Names & identifiers
- Preferred name
- 2,6-Diethyl 4-chloropyridine-2,6-dicarboxylate
- IUPAC
- diethyl 4-chloropyridine-2,6-dicarboxylate
- English name
- Diethyl 4-chloro-2,6-pyridinedicarboxylate
- Molecular formula
- C11H12ClNO4
- Molecular weight
- 257.67
Names & synonyms
2,6-diethyl 4-chloropyridine-2,6-dicarboxylateRefChem:445496860-340-8diethyl 4-chloropyridine-2,6-dicarboxylate53389-01-8Diethyl 4-chloro-2,6-pyridinedicarboxylateMFCD002155212,6-Pyridinedicarboxylic acid, 4-chloro-, diethyl esterNSC 1666042,6-Pyridinedicarboxylic acid, 4-chloro-, 2,6-diethyl esterethyl 4-chloro-6-(ethoxycarbonyl)pyridine-2-carboxylateNSC166604
Show more names
4-chloropyridine-2,6-dicarboxylate4-chloropyidine-2,6-dicarboxylate4-Chloro-2,6-(diethoxycarbonyl)pyridineEthyl 4-chloropyidine-2,6-dicarboxylateethyl 4-chloro-2, 6-bipyridinecarboxylateDiethyl 4-Chloropyridine- 2,6-pyridinedicarboxylate
Oprea1_4567824-Chloro-2,6-pyridinedicarboxylic acid diethyl esterSCHEMBL3327719DTXSID803046394-CHLORO-PYRIDINE-2,6-DICARBOXYLIC ACID DIETHYL ESTERDCA38901SBB053835STL290427
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 91 · 91-93°
- Boiling point
- 378.5 · 378.5±37.0 °C(Predicted)
- Density
- 1.266 · 1.266
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.14 · -2.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Applications
UsesDiethyl 4-Chloropyridine-2,6-dicarboxylate is a chemical reagent used in the synthesis of luminescent lanthanide complexes. Also used in the production of metal chelating inhibitors against fructose 1,6-bisphosphate (FBP) aldolase in the treatment of infectious bacteria and fungi.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers67 total
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司
Related reactions
2 records
Compound notes
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