The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
4,6-Bis(difluoromethoxy)-2-(methylthio)pyrimidine , CAS No.100478-25-9
Basic Description
Synonyms
4,6-Bis(difluoromethoxy)-2-(methylthio)pyrimidine | 4,6-Bis(difluoromethoxy)-2-methylthiopyrimidine | 4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine | B2755 | 4,6-bis-difluoromethoxy-2-methylthiopyrimidine | DTXSID90453127 | J-000141 | D88962 | MFCD0
Shipped In
Normal
Names and Identifiers
IUPAC Name
4,6-bis(difluoromethoxy)-2-methylsulfanylpyrimidine
INCHI
InChI=1S/C7H6F4N2O2S/c1-16-7-12-3(14-5(8)9)2-4(13-7)15-6(10)11/h2,5-6H,1H3
InChi Key
HURDQHYOXAOOJJ-UHFFFAOYSA-N
Canonical SMILES
CSC1=NC(=CC(=N1)OC(F)F)OC(F)F
Isomeric SMILES
CSC1=NC(=CC(=N1)OC(F)F)OC(F)F
PubChem CID
11043427
Molecular Weight
258.19
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
258.200 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
5
Exact Mass
258.009 Da
Monoisotopic Mass
258.009 Da
Topological Polar Surface Area
69.500 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
195.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Safety and Hazards(GHS)
Pictogram(s)
GHS09 , GHS07
Signal
Warning
Hazard Statements
H302: Harmful if swallowed
H317: May cause an allergic skin reaction
H400: Very toxic to aquatic life
H410: Very toxic to aquatic life with long lasting effects
Precautionary Statements
P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P273: Avoid release to the environment.
P280: Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352: IF ON SKIN: wash with plenty of water.
P321: Specific treatment (see ... on this label).
P501: Dispose of contents/container to ...
P264: Wash hands [and …] thoroughly after handling.
P270: Do not eat, drink or smoke when using this product.
P272: Contaminated work clothing should not be allowed out of the workplace.
P333+P313: IF SKIN irritation or rash occurs: Get medical advice/attention.
P362+P364: Take off contaminated clothing and wash it before reuse.
P391: Collect spillage.
P330: Rinse mouth.
P301+P317: IF SWALLOWED: Get medical help.
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
