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4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile

4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile structure

CAS No:
63617-61-8
Formula:
C21H19N3
Chemical Name:
4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile
Synonyms:
Benzonitrile,4-[5-(4-butylphenyl)-2-pyrimidinyl]-;4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile;5-(4-Butylphenyl)-2-(4-cyanophenyl)pyrimidine;Ro TN 7334;ROCP 7334;Ro CM 7334

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4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile Basic Attributes

Molecular Weight：

313.39566

Exact Mass：

313.40

EC Number：

264-370-7

DSSTox ID：

DTXSID5069968

HScode：

2933599090

Characteristics

PSA：

49.6

XLogP3：

5.02488

Density：

1.16g/cm3

Melting Point：

93.5 °C (polymorph)

Boiling Point：

431.4ºC at 760 mmHg

Flash Point：

140.7ºC

Refractive Index：

1.62

4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile Use and Manufacturing

Manufacturing Info：

Benzonitrile, 4-[5-(4-butylphenyl)-2-pyrimidinyl]-: ACTIVE

Computed Properties

Molecular Weight:313.4
XLogP3:5.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:313.157897619
Monoisotopic Mass:313.157897619
Topological Polar Surface Area:49.6
Heavy Atom Count:24
Complexity:402
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

4-[5-(4-Butylphenyl)-2-pyrimidinyl]benzonitrile

SDS

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