3-(Difluoromethoxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Basic information
- CAS
1257554-65-6- Standard SMILES
CC1(C)OB(c2cncc(OC(F)F)c2)OC1(C)C- InChIKey
JVEWZNQRBSDHGG-UHFFFAOYSA-N- Molecular formula
- C12H16BF2NO3
- Average molar mass
- 271.07 g/mol
- Monoisotopic mass
- 271.1191299
Names & identifiers
- Preferred name
- 3-(Difluoromethoxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- 3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- English name
- 3-(difluoroMethoxy)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine
- Molecular formula
- C12H16BF2NO3
- Molecular weight
- 271.07
Names & synonyms
1257554-65-63-(difluoromethoxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineRefChem:494857829-207-13-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineMFCD21607949SCHEMBL2067468SCHEMBL29990311HAC55465AKOS018218452CS-0375970D79868
Show more names
EN300-218797F760532A1-13551Z13367474053-difluoromethoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridinePyridine, 3-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1257554-65-6- PubChem CID
- 59619658
- EC Number
- 829-207-1
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 343.7 · 343.7±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 3.71 · 3.71±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
2 records
Compound notes
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