Basic information
- CAS
679406-03-2- Standard SMILES
CCOC(=O)c1nnc(Cl)cc1Cl- InChIKey
MOWPWJUYSRHMHS-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2N2O2
- Average molar mass
- 221.04 g/mol
- Monoisotopic mass
- 219.98063279
Names & identifiers
- Preferred name
- Ethyl 4,6-dichloropyridazine-3-carboxylate
- IUPAC
- ethyl 4,6-dichloropyridazine-3-carboxylate
- English name
- Ethyl 4,6-dichloropyrridazine-3-carboxylate
- Molecular formula
- C7H6Cl2N2O2
- Molecular weight
- 221.04
Names & synonyms
ETHYL 4,6-DICHLOROPYRIDAZINE-3-CARBOXYLATE679406-03-2DTXSID40699912RefChem:343607DTXCID60650661MFCD115215703-Pyridazinecarboxylic acid, 4,6-dichloro-, ethyl esterEthyl4,6-dichloropyridazine-3-carboxylateSCHEMBL40197724,6-dichloro-pyridazine-3-carboxylic acid ethyl ester4,6-dichloropyridazine-3-carboxylic acid ethyl esterMOWPW
Show more names
EOS-615104,6-DICHLOROPYRIDAZINE-3-CARBOXYLATEEthyl 4,6-dichloro-3-pyridazinecarboxylateEthyl 4,6-dichloropyrridazine-3-carboxylate4,6-dichloroazine-3-carboxylic acidethyl ester4,6-Dichloropyrazine-3-carboxylic acid ethyl ester
7VD93H6Z2FSCHEMBL29739916AKOS015909522CS-W022681AC-37433DS-15310Ethyl 46-dichloropyridazine-3-carboxylateSY102386
Database identifiers
- CAS
679406-03-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 353.4 · 353.4±37.0 °C(Predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Acetonitrile (Slightly), Chloroform (Soluble), Methanol (Slightly)
- pka
- -2.18 · -2.18±0.10(Predicted)
- form
- Low-Melting Solid
- color
- Brown to Very Dark Brown
- InChI
- InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)6-4(8)3-5(9)10-11-6/h3H,2H2,1H3
- InChIKey
- MOWPWJUYSRHMHS-UHFFFAOYSA-N
- SMILES
- C1(C(OCC)=O)=NN=C(Cl)C=C1Cl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
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 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Applications
UsesEthyl 4,6-Dichloropyridazine-3-carboxylate is a useful reagent for the green preparation of Deucravacitinib, a deuterated API for TYK2 Inhibition.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
怀化宝华生物科技有限公司0519-82698292 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Related reactions
32 records
Compound notes
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