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[1,1′-Biphenyl]-4,4′-dicarbonitrile

[1,1′-Biphenyl]-4,4′-dicarbonitrile structure

CAS No:
1591-30-6
Formula:
C14H8N2
Chemical Name:
[1,1′-Biphenyl]-4,4′-dicarbonitrile
Synonyms:
[1,1′-Biphenyl]-4,4′-dicarbonitrile;4,4′-Biphenyldicarbonitrile;4,4′-Dicyanobiphenyl;4,4′-Dicyanodiphenyl;NSC 87879;4,4′-Dicyano-1,1′-biphenyl
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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[1,1′-Biphenyl]-4,4′-dicarbonitrile Basic Attributes

Molecular Weight：

204.23

Exact Mass：

204.23

BRN：

1869917

EC Number：

216-468-6

NSC Number：

87879

DSSTox ID：

DTXSID2061806

HScode：

2926909090

Characteristics

PSA：

47.6

XLogP3：

2.61

Density：

1.1974 (rough estimate)

Melting Point：

232-234 °C

Boiling Point：

332.72°C (rough estimate)

Flash Point：

199.2±20.7 °C

Refractive Index：

1.6152 (estimate)

Water Solubility：

Insoluble in water.

Toxicity：

Peritoneal-mouse LD50: 75 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and cyanide fumes

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22

safety instructions：

36/37

RTECS Number：

DV2625000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

[1,1′-Biphenyl]-4,4′-dicarbonitrile Use and Manufacturing

Manufacturing Info：

[1,1'-Biphenyl]-4,4'-dicarbonitrile: INACTIVE

Computed Properties

Molecular Weight:204.23
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:204.068748264
Monoisotopic Mass:204.068748264
Topological Polar Surface Area:47.6
Heavy Atom Count:16
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of [1,1′-Biphenyl]-4,4′-dicarbonitrile

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Biphenyl-4,4-dicarbonitrile

CAS No.: 1591-30-6

Content: 99.00%

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Guide of [1,1′-Biphenyl]-4,4′-dicarbonitrile

Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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[1,1′-Biphenyl]-4,4′-dicarbonitrile

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