Basic information
- CAS
1036991-40-8- Standard SMILES
Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1C- InChIKey
ZLIQCQOFVHSHPX-UHFFFAOYSA-N- Molecular formula
- C11H19BN2O2
- Average molar mass
- 222.09 g/mol
- Monoisotopic mass
- 222.15395825
Names & identifiers
- Preferred name
- 1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- IUPAC
- 1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- English name
- 1,5-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester
- Molecular formula
- C11H19BN2O2
- Molecular weight
- 222.09
Names & synonyms
1036991-40-81,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleDTXSID50655322RefChem:73490DTXCID10606072687-722-51,5-DIMETHYL-1H-PYRAZOLE-4-BORONIC ACID,PINACOL ESTER1,5-Dimethyl-1H-pyrazole-4-boronic acid pinacol esterMFCD098641891,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1,5-Dimethylpyrazole-4-boronic Acid Pinacol Ester
Show more names
1,5-DiMethyl-1H-pyrazol-4-ylboronic acid,pinacol ester1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester 98%1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)...1,5-Dimethyl-1H-pyrazole-4-boronic acid pinacol ester - [D14533]2-(1,5-Dimethyl-1H-pyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,5-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester, AldrichCPRSCHEMBL627234(1,5-DIMETHYL-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleSBB019183STK695171AKOS005606422CS-W000784
Properties
Computed structural properties
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 87 °C · 87 °C
- Boiling point
- 322.3 · 322.3±30.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- form
- powder to crystal
- pka
- 2.66 · 2.66±0.10(Predicted)
- color
- White to Light yellow
- InChI
- 1S/C11H19BN2O2/c1-8-9(7-13-14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
- InChIKey
- ZLIQCQOFVHSHPX-UHFFFAOYSA-N
- SMILES
- B2(OC(C(O2)(C)C)(C)C)c1c([n](nc1)C)C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- 2811
- hs_code
- 2933199090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- Ⅲ
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
Uses1,5-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester
Upstream & downstream products
Upstream raw materials
Suppliers84 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
17 records
Compound notes
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