Basic information
- CAS
1169690-88-3- Standard SMILES
CC1(C)OB(c2cnn3cccnc23)OC1(C)C- InChIKey
ZPGVBVUVOXWXDJ-UHFFFAOYSA-N- Molecular formula
- C12H16BN3O2
- Average molar mass
- 245.09 g/mol
- Monoisotopic mass
- 245.1335569
Names & identifiers
- Preferred name
- 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
- IUPAC
- 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
- English name
- Pyrazolo[1,5-a]pyrimidine-3-boronic acid pinacol ester
- Molecular formula
- C12H16BN3O2
- Molecular weight
- 245.09
Names & synonyms
1169690-88-33-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo(1,5-a)pyrimidineRefChem:496237815-343-93-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOLO[1,5-A]PYRIMIDINEPyrazolo[1,5-a]pyrimidine-3-boronic acid pinacol esterMFCD17214361Pyrazolo[1,5-a]pyrimidine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-Pyrazolo[1,5-a]pyrimidin-3-ylboronic acid pinacol esterSCHEMBL1693694ZPGVBVUVOXWXDJ-UHFFFAOYSA-N
Show more names
Pyrazolo1,5-apyrimidine-3-boronic acid picol esterPyrazolo[1,5-a]pyrimidine-3-boronic acid pinacol ester - [P7480]3-(4,4,5,5-TetraMethyl-[1,3,2]dioxaborolan-2-yl)-pyrazolo[1,5-a]pyriMidine
UWB69088AKOS024260853PB11292NCGC00662967-01AS-33472SY042257DB-303838CS-0051655
Properties
Computed structural properties
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- form
- solid
- pka
- 0.34 · 0.34±0.30(Predicted)
- Appearance
- yellow solid
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers42 total
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
Related reactions
2 records
Compound notes
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