2-Ethoxy-4,6-Difluoropyrimidine
Basic information
- CAS
166524-65-8- Standard SMILES
CCOc1nc(F)cc(F)n1- InChIKey
SGVUAJWRAOSPNC-UHFFFAOYSA-N- Molecular formula
- C6H6F2N2O
- Average molar mass
- 160.12 g/mol
- Monoisotopic mass
- 160.04481914
Names & identifiers
- Preferred name
- 2-Ethoxy-4,6-Difluoropyrimidine
- IUPAC
- 2-ethoxy-4,6-difluoropyrimidine
- English name
- 2-Ethoxy-4,6-difluoropyrimidine
- Molecular formula
- C6H6F2N2O
- Molecular weight
- 160.12
Names & synonyms
2-Ethoxy-4,6-difluoropyrimidine166524-65-8EC 692-762-1DTXSID40452923RefChem:86824DTXCID30403742692-762-1Pyrimidine, 2-ethoxy-4,6-difluoro-SCHEMBL8102492SGVUAJWRAOSPNC-UHFFFAOYSA-NAKOS006287870SB56870
Show more names
2-ETHOXY-4,6-DIFLUO2-ethoxy-4,6-difluoropyridinePyrimidine, 2-ethoxy-4,6-difluoro- (9CI)2-ETHOXY-4,6-DIFLUOROPYRIMIDINE ISO 9001：2015 REACH
AC-26639NS00004730
Database identifiers
- CAS
166524-65-8- PubChem CID
- 11040985
- DTXSID
DTXSID40452923- EC Number
- 692-762-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 207.5 · 207.5±43.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- -5.14 · -5.14±0.30(Predicted)
- InChI
- InChI=1S/C6H6F2N2O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3
- InChIKey
- SGVUAJWRAOSPNC-UHFFFAOYSA-N
- SMILES
- C1(OCC)=NC(F)=CC(F)=N1
- Symbol(GHS)
- 5 · GHS05,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 411 · H411-H317-H301-H318-H310+H330-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- REACH Registrations
- Inactive
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]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-Ethoxy-4,6-Difluoropyrimidine (EC: 692-762-1)
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09,GHS06
- Hazard statements
- H411-H317-H301-H318-H310+H330-H315
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
5 records
Compound notes
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