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4-Biphenylboronicacid

4-Biphenylboronicacid structure

CAS No:
5122-94-1
Formula:
C12H11BO2
Chemical Name:
4-Biphenylboronicacid
Synonyms:
AKOS BRN-0030;4-Boronobiphenyl;RARECHEM AH PB 0261;4-Biphenylboric acid;4-Biphenylboronic ac;4-Diphenyl Boric Acid;4-BIPHENYLBORONIC ACID;4-Diphenylboronic acid;BIPHENYL-4-BORONIC ACID;4-BIPHENYLYLBORONIC ACID
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Solid

4-Biphenylboronicacid Basic Attributes

Molecular Weight：

198.03

Exact Mass：

198.085205

BRN：

2937410

EC Number：

-0

DSSTox ID：

DTXSID90199230

HScode：

29310095

Characteristics

PSA：

40.5

XLogP3：

1.03340

Appearance：

White Powder

Density：

1.2±0.1 g/cm3

Melting Point：

232-245 °C(lit.)

Boiling Point：

385.5°C at 760 mmHg

Flash Point：

186.9±25.9 °C

Refractive Index：

1.610

Water Solubility：

Insoluble in water.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-37/39-36-24/25

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,1'-biphenyl-4-yl-boronic acid

4-Biphenylboronicacid Use and Manufacturing

Intermediates of Liquid Crystals

Computed Properties

Molecular Weight:198.03
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:198.0852098
Monoisotopic Mass:198.0852098
Topological Polar Surface Area:40.5
Heavy Atom Count:15
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 5122-94-1

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