1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HCID 4912908
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
847818-74-0
Standard SMILES
Cn1nccc1B1OC(C)(C)C(C)(C)O1
InChIKey
HLXOVAMYQUFLPE-UHFFFAOYSA-N
Molecular formula
C10H17BN2O2
Average molar mass
208.07 g/mol
Monoisotopic mass
208.13830818

Names & identifiers

Preferred name
1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
English name
1-Methyl-1H-pyrazole-5-boronic acid pinacol ester
Molecular formula
C10H17BN2O2
Molecular weight
208.07

Names & synonyms

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleRefChem:434442628-091-8847818-74-01-Methyl-1H-pyrazole-5-boronic acid pinacol ester1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD058613801H-PYRAZOLE, 1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-METHYLPYRAZOLE-5-BORONIC ACID PINACOL ESTERSCHEMBL332693
Show more names
1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleCBI-BB ZERO/005567e-5-boronic Acid PinacoL1-Methyl-1H-pyrazole-5-bo...Pinacol 1-methyl-1h-pyrazole-5-boratePinacol 1-methyl-pyrazol-5-yl-boronate1-Methyl-1H-pyrazole-5-boronic acid pinacol
1H-PYRAZOLE,1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4,4,5,5-tetramethyl-2-(1-methylpyrazol-5-yl)-1,3,2-dioxaborolane1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL1-methyl-5-(4,AM201102161-methyl-pyrazole-5-boronic acid pinacol esterCHEMBL32369001-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Database identifiers

CAS
847818-74-0
PubChem CID
4912908
DTXSID
DTXSID80406728
ChEMBL
CHEMBL3236900
EC Number
628-091-8
Nikkaji
J2.139.005D

Properties

Computed structural properties

Topological polar surface area
36.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
67 · 67-71 °C
Boiling point
308.3 · 308.3±15.0 °C(Predicted)
Density
1.05 · 1.05±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
pka
1.94 · 1.94±0.10(Predicted)
form
crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.7%): 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)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
No
hs_code
29349990
risk_code
22-36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses1-Methyl-1H-pyrazole-5-boronic acid pinacol ester is used as a pharmaceutical intermediate, agrochemical intermediate.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

308 records
New reaction record

Compound notes

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