3,4,5,6-Tetrachloro-pyridine-2-carboxylic acid methyl ester
Basic information
- CAS
35592-96-2- Standard SMILES
COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl- InChIKey
RYIFDLNTADZCRH-UHFFFAOYSA-N- Molecular formula
- C7H3Cl4NO2
- Average molar mass
- 274.9 g/mol
- Monoisotopic mass
- 272.891789
Names & identifiers
- Preferred name
- 3,4,5,6-Tetrachloro-pyridine-2-carboxylic acid methyl ester
- IUPAC
- methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
- English name
- Methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
- Molecular formula
- C7H3Cl4NO2
- Molecular weight
- 274.92
Names & synonyms
35592-96-2RefChem:4856693,4,5,6-Tetrachloro-pyridine-2-carboxylic acid methyl ester667-423-6methyl 3,4,5,6-tetrachloropyridine-2-carboxylateMethyl 3,4,5,6-tetrachloropicolinateMFCD00184239methyl 3,4,5,6-tetrachloro-2-pyridinecarboxylateRegorafenib Impurity 28SCHEMBL4340923SCHEMBL29705231RYIFDLNTADZCRH-UHFFFAOYSA-N
Show more names
Regorafenib Impurity 52Methyl-3,4,5,6-tetrachloropicolinate (Regorafenib Impurity）2-Pyridinecarboxylic acid, 3,4,5,6-tetrachloro-, methyl ester
HMS1607O08STL329210AKOS001483516CS-0163793AE-641/01147059SR-01000389666SR-01000389666-13,4,5,6-tetrachloropyridine-2-carboxylic acid methyl ester
Database identifiers
- CAS
35592-96-2- PubChem CID
- 676444
- EC Number
- 667-423-6
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 346 · 346.0±37.0 °C(Predicted)
- Density
- 1.632 · 1.632±0.06 g/cm3(Predicted)
- pka
- -7.48 · -7.48±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
1 records
Compound notes
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