Methyl 2,4-dichloropyrimidine-6-carboxylate
Basic information
- CAS
6299-85-0- Standard SMILES
COC(=O)c1cc(Cl)nc(Cl)n1- InChIKey
DQNQNLWKAGZNIT-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2N2O2
- Average molar mass
- 207.01 g/mol
- Monoisotopic mass
- 205.9649828
Names & identifiers
- Preferred name
- Methyl 2,4-dichloropyrimidine-6-carboxylate
- IUPAC
- methyl 2,6-dichloropyrimidine-4-carboxylate
- English name
- Methyl 2,4-dichloropyrimidine-6-carboxylate
- Molecular formula
- C6H4Cl2N2O2
- Molecular weight
- 207.01
Names & synonyms
Methyl 2,4-dichloropyrimidine-6-carboxylateDTXSID70286359RefChem:812937DTXCID30237509674-238-46299-85-0methyl 2,6-dichloropyrimidine-4-carboxylateMFCD019413172,6-dichloropyrimidine-4-carboxylic acid methyl ester4-Pyrimidinecarboxylic acid, 2,6-dichloro-, methyl esterMethyl 2,4-Dichloro-pyrimidine-6-carboxylateNSC45044
Show more names
2,6-dichloropyrimidine-4-carboxylate2,6-Dichloro-pyrimidine-4-carboxylic acid methyl ester6-c2-(3-CHLOROPHENYL)MALONDIALDEHYDE2,4-dichloropyrimidine-6-carboxylate2-(3-chlorophenyl)malondialdehyde,98%2,4-Dichloro-6-(methoxycarbonyl)pyrimidineMethyl 2,6-dichloropyrimidin-4-carboxylate
methyl 2,6-dichloro-4-pyrimidinecarboxylateMethyl2,6-Dichloropyrimidine-4-carboxylateSCHEMBL112719SCHEMBL30307699DQNQNLWKAGZNIT-UHFFFAOYSA-N2,6-DICHLORO-4-PYRIMIDINECARBOXYLICACID METHYL ESTERNSC-45044SBB053954
Database identifiers
- CAS
6299-85-0- PubChem CID
- 239689
- DTXSID
DTXSID70286359- EC Number
- 674-238-4
- Nikkaji
- J263.924F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 54 · 54-56
- Boiling point
- 306 · 306 ºC
- Density
- 1.503 · 1.503
- Flash point
- 139 · 139 ºC
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- White to off white to faint cream flakes
- pka
- -5.83 · -5.83±0.30(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3
- InChIKey
- DQNQNLWKAGZNIT-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(Cl)=CC(C(OC)=O)=N1
- Comptox DTXSID
- 70286359 · DTXSID70286359
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesMethyl 2,4-dichloropyrimidine-6-carboxylate serves as a precursor for synthesizing 6-amino-pyrimidine-4-carboxamides through amination, hydrogenation, hydrolysis, and amide coupling[2].
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
73 records
Compound notes
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