Cyclopropylboronic acid

HCID 2760897
NotesReactions
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Basic information

CAS
411235-57-9
Standard SMILES
OB(O)C1CC1
InChIKey
WLVKDFJTYKELLQ-UHFFFAOYSA-N
Molecular formula
C3H7BO2
Average molar mass
85.9 g/mol
Monoisotopic mass
86.05390986

Names & identifiers

Preferred name
Cyclopropylboronic acid
IUPAC
cyclopropylboronic acid
English name
Cyclopropylboronic acid
Molecular formula
C3H7BO2
Molecular weight
85.9

Names & synonyms

Cyclopropylboronic acid411235-57-9DTXSID00375402RefChem:129954DTXCID20326431609-890-0Cyclopropyl Boronic AcidMFCD04038750CYCLOPROPANEBORONIC ACIDBORONIC ACID, CYCLOPROPYL-cyclopropylboranediolcyclopropyboronic acid
Show more names
CyclopropylboronicAKOS BRN-0457BoronocyclopropaneCyclopropylboronicaCYCLOROPYLBORONIC ACIDB-Cyclopropylboronic AcidCyclopropylboronic acid 95%
cylcopropylboronic acidcycloproyl boronic acidcyclopropanylboronic acidAC-6414BP-10013HY-59219Cyclopropylboronicacidcyclopropyl-boronic acid

Database identifiers

CAS
411235-57-9
PubChem CID
2760897
DTXSID
DTXSID00375402
EC Number
609-890-0
Nikkaji
J1.792.918F

Properties

Computed structural properties

Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
6

Physicochemical properties

Melting point
90 · 90-95 °C (lit.)
Boiling point
205.1 · 205.1±23.0 °C(Predicted)
Density
1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
solubility
DMSO
pka
10.49 · 10.49±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 6.7% (1 of 15) of reports.

Danger

H242 (20%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P203, P210, P234, P235, P240, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSelf-react. C (20%)

Safety data

wgk
3
tsca
No
hs_code
29319090
risk_code
22-36-61-60-36/37/38
Signal word
Danger
Symbol(GHS)
GHS05,GHS07,GHS08

Chemistry & industry

Applications · 3 items

UsesCyclopropylboronic Acid is an organoboronic acid commonly used in highly efficient Suzuki coupling reactions.

UsesReagent used for• ;Microwave-assisted copper(II)-catalyzed N-cyclopropylation1• ;Nickel- and copper-catalyzed Suzuki-Miyaura coupling reaction of arenes2• ;Palladacycle-catalyzed Suzuki-cross coupling of aryl halides with cyclopropylboronic acid3• ;Palladium(0)-catalyzed cyclopropane C-H bond functionalization4• ;Palladium-catalyzed decarboxylative coupling5• ;Palladium-catalyzed ligand-directed oxidative functionalization of cyclopropanes6• ;Palladium-catalyzed Suzuki coupling reaction7Reagent used in Preparation of• ;Diaryl ketones by arylation

Usessuzuki reaction

Upstream & downstream products

Suppliers100 total

北京华美互利生物化工010-56205725 · [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

1,076 records
New reaction record

Compound notes

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