Basic information
- CAS
1083326-46-8- Standard SMILES
CC1(C)OB(c2cnn(CC(N)=O)c2)OC1(C)C- InChIKey
XFYVLZVRMQJRCB-UHFFFAOYSA-N- Molecular formula
- C11H18BN3O3
- Average molar mass
- 251.09 g/mol
- Monoisotopic mass
- 251.14412184
Names & identifiers
- Preferred name
- 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamide
- IUPAC
- 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide
- English name
- 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamide
- Molecular formula
- C11H18BN3O3
- Molecular weight
- 251.09
Names & synonyms
1083326-46-82-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamideDTXSID707192182-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamideRefChem:251827DTXCID50669964855-961-64-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetamideMFCD166602362-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetamide2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide1H-Pyrazole-1-acetamide, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Show more names
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamide 95%
XFYVLZVRMQJRCB-UHFFFAOYSA-N2-[4-(tetramethyl-1,SCHEMBL25444571-(2-Amino-2-oxoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester(1-(2-AMINO-2-OXOETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTERAKOS015919945CS-W018985SB15552
Properties
Computed structural properties
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 440.8 · 440.8±25.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15 · 15+-.0.40(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933199090 · 2933199090
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
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetamide, can be used in the preparation of pharmaceutical and biologically active compounds, including inhibitors and therapeutic agents.
Upstream & downstream products
Upstream raw materials
Suppliers61 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Syntechem Co.,Ltd[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Related reactions
7 records
Compound notes
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