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Catecholborane

Catecholborane structure

CAS No:
274-07-7
Formula:
C6H5BO2
Chemical Name:
Catecholborane
Synonyms:
1,3,2-Benzodioxaborole;Catecholborane;CB;Pyrocatecholborane;Benzcatechinborane;Catecholatoborane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CATECHOLBORANE is clear colorless solution

Catecholborane Basic Attributes

Molecular Weight：

119.914

Exact Mass：

119.91

EC Number：

205-991-5

UNII：

UB69382H5J

HScode：

2934999090

Characteristics

PSA：

18.46000

XLogP3：

0.72430

Density：

1.125 g/mL at 25 °C(lit.)

Melting Point：

12 °C

Boiling Point：

76 °C @ Press: 100 Torr

Flash Point：

27.2±18.7 °C

Refractive Index：

n20/D 1.507(lit.)

Water Solubility：

Reacts with water.

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2924 3/PG 2

wgk germany：

hazard class code：

R11;R14;R34

safety instructions：

S26-S36/37/39-S45-S62-S16-S43

Marks：

F: Flammable;C: Corrosive;

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, P501

Hazard Statements：

H225

Catecholborane Use and Manufacturing

CATECHOLBORANE is used in the transition metal catalyzed hydroboration of alkenes.1,2,3

Computed Properties

Molecular Weight:119.92
Hydrogen Bond Acceptor Count:2
Exact Mass:120.0382596
Monoisotopic Mass:120.0382596
Topological Polar Surface Area:18.5
Heavy Atom Count:9
Complexity:95.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Tetrahydrofuran

Catechol

Benzene

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