2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 3864964CAS 87100-28-5

Basic information

Standard SMILES
CC1(C)OB(Cc2ccccc2)OC1(C)C
InChIKey
YCNQPAVKQPLZRS-UHFFFAOYSA-N
Molecular formula
C13H19BO2
Average molar mass
218.1 g/mol
Monoisotopic mass
218.14781

Names & identifiers

Preferred name
2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC
2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
English name
Benzylboronic acid pinacol ester
Molecular formula
C13H19BO2
Molecular weight
218.1

Names & synonyms

87100-28-52-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneDTXSID801007338RefChem:465651DTXCID101434194679-569-8Benzylboronic acid pinacol esterMFCD05663841121074-61-14,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylmethyl)-benzylboronic pinacol ester
Show more names
pinacol benzylboronatebenzylboronic acidolesterBenzylboronic acid pinacol estPinarylbenzylboronic acid esterBenzylboronic acid pinacol ester 96%2-BENZYL-4,4,5,5-TETRAMETHYL-(1,3,2)DIOXABOROLANE2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane3-hydroxy-2,3-dimethylbutan-2-yl hydrogen benzylboronate
SCHEMBL142096orb2940486benzyl boronic acid pinacol esterYCNQPAVKQPLZRS-UHFFFAOYSA-NTYD-00092AKOS005259533AB21925Benzylboronic acid pinacol ester, 96%

Database identifiers

CAS
87100-28-5
PubChem CID
3864964
DTXSID
DTXSID801007338
EC Number
679-569-8
Nikkaji
J1.147.021A

Properties

Computed structural properties

Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Boiling point
65 °C0.15 · 65 °C0.15 mm Hg
Density
0.98 g/mL · 0.980 g/mL at 25 °C
refractive index
20 · n20/D 1.490
Flash point
230 °F · >230 °F
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.;Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%);Eye Irrit. 2A (66.7%);STOT SE 3 (33.3%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
hs_code
2931900090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

UsesBenzylboronic acid pinacol ester finds application in Pd (0)-mediated [11 C] carbonylation reaction.

Suppliers50 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]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

12 records

Linked notes

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