5-Chloro-2,4-difluoro-6-methoxypyrimidine
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Basic information
- CAS
27265-89-0- Standard SMILES
COc1nc(F)nc(F)c1Cl- InChIKey
ZTHGWCOMBBTXLB-UHFFFAOYSA-N- Molecular formula
- C5H3ClF2N2O
- Average molar mass
- 180.54 g/mol
- Monoisotopic mass
- 179.9901967
Names & identifiers
- Preferred name
- 5-Chloro-2,4-difluoro-6-methoxypyrimidine
- IUPAC
- 5-chloro-2,4-difluoro-6-methoxypyrimidine
- English name
- 5-Chloro-2,4-difluoro-6-methoxypyrimidine
- Molecular formula
- C5H3ClF2N2O
- Molecular weight
- 180.54
Names & synonyms
5-Chloro-2,4-difluoro-6-methoxypyrimidine27265-89-0DTXSID70545453RefChem:302289DTXCID50496237641-267-95-chloro-2,6-difluoro-4-methoxypyrimidineMFCD13563129SBB089717SB574935-chloranyl-2,4-bis(fluoranyl)-6-methoxy-pyrimidinePyrimidine, 5-chloro-2,4-difluoro-6-methoxy-
Database identifiers
- CAS
27265-89-0- PubChem CID
- 13630770
- DTXSID
DTXSID70545453- EC Number
- 641-267-9
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 269.8 · 269.8±50.0 °C(Predicted)
- Density
- 1.501 · 1.501±0.06 g/cm3(Predicted)
- pka
- -5.77 · -5.77±0.39(Predicted)
- HS Code
- 2933599590 · 2933599590
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+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.
Safety data
- hs_code
- 2933599590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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