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Pinacolborane

Pinacolborane structure

CAS No:
25015-63-8
Formula:
C6H13BO2
Chemical Name:
Pinacolborane
Synonyms:
1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-;2,3-Butanediol,2,3-dimethyl-,cyclic ester with boronic acid;4,4,5,5-Tetramethyl-1,3,2-dioxaborolane;Pinacolborane;Pinacolatoborane;HBpin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear colorless liquid

It is used for synthesis of unsymmetrical biaryls via aromatic C-H borylation-cross-coupling sequence.

Pinacolborane Basic Attributes

Molecular Weight：

127.977

Exact Mass：

127.98

EC Number：

607-485-3

DSSTox ID：

DTXSID30422852

HScode：

2934999090

Characteristics

PSA：

18.46000

XLogP3：

0.85690

Appearance：

Clear colorless liquid

Density：

0.882 g/mL at 25 °C(lit.)

Boiling Point：

36 °C @ Press: 42 Torr

Flash Point：

20.2±18.2 °C

Refractive Index：

n20/D 1.396(lit.)

Storage Conditions：

Keep Cold

Vapor Pressure：

28.6mmHg at 25°C

Safety Information

Packing level：

Hazard category：

4.3

Transport codes：

UN 3398 4.3/PG 2

wgk germany：

hazard class code：

R11;R15;R36/37/38

safety instructions：

S16-S43-S8-S37/39-S26-S33-S29

Marks：

F:Flammable;Xi:Irritant;

Precautionary statement(s)：

P210-P231 + P232-P280-P370 + P378-P402 + P404-P403 + P235

Hazard Statements：

H225-H261-H302-H319-H335-H351

RIDADR：

UN 3398

Caution Statement：

P210; P231 + P232; P280; P370 + P378; P402 + P404; P403 + P235

GHS Classification：

|Danger|H220 (18.75%): Extremely flammable gas [Danger Flammable gases]|P210, P223, P231+P232, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P310, P321, P332+P313, P335+P334, P362, P370+P378, P377, P381, P402+P404, P403, P403+P235, and P501|Aggregated GHS information provided by 176 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4,4,5,5-tetramethyl(1,3,2)dioxaborolane

Pinacolborane Use and Manufacturing

Pinacolborane is used for synthesis of unsymmetrical biaryls via aromatic C-H borylation-cross-coupling sequence.

Computed Properties

Molecular Weight:126.97
Hydrogen Bond Acceptor Count:2
Exact Mass:127.0930348
Monoisotopic Mass:127.0930348
Topological Polar Surface Area:18.5
Heavy Atom Count:9
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

255041-56-6

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