3-(methoxymethyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Basic information
- CAS
1619897-15-2- Standard SMILES
COCc1nn(C)cc1B1OC(C)(C)C(C)(C)O1- InChIKey
OTBNVSNPKNATRY-UHFFFAOYSA-N- Molecular formula
- C12H21BN2O3
- Average molar mass
- 252.12 g/mol
- Monoisotopic mass
- 252.1645227
Names & identifiers
- Preferred name
- 3-(methoxymethyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- IUPAC
- 3-(methoxymethyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Names & synonyms
1619897-15-23-(Methoxymethyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleRefChem:495418897-554-63-(methoxymethyl)-1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleSCHEMBL15884331DB-424156EN300-7321535Z3482367325
Database identifiers
- CAS
1619897-15-2- PubChem CID
- 90287907
- EC Number
- 897-554-6
Properties
Computed structural properties
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
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%)
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Compound notes
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