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Di-p-tolyl

Di-p-tolyl structure

CAS No:
613-33-2
Formula:
C14H14
Chemical Name:
Di-p-tolyl
Synonyms:
1,1′-Biphenyl,4,4′-dimethyl-;p,p′-Bitolyl;4,4′-Dimethyl-1,1′-biphenyl;4,4′-Dimethylbiphenyl;Di-p-tolyl;4,4′-Ditolyl;4,4′-Bitolyl;4,4′-Dimethyldiphenyl;Bi-p-tolyl;p,p′-Bitoluene;p,p′-Ditolyl;p,p′-Dimethylbiphenyl;4,4′-Bitoluene;NSC 90464;1-Bb-1;1-Methyl-4-(4-methylphenyl)benzene
Categories:
Chemical Reagents > Organic Reagents

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Description

Crystalline

Di-p-tolyl Basic Attributes

Molecular Weight：

182.26

Exact Mass：

182.26

BRN：

1856053

EC Number：

210-337-7

UNII：

5J314QOJ2V

NSC Number：

90464

DSSTox ID：

DTXSID30210195

HScode：

2902909090

Characteristics

PSA：

XLogP3：

5.1

Appearance：

White to light yellow Crystalline Powder

Density：

1.0±0.1 g/cm3

Melting Point：

125 °C

Boiling Point：

295 °C

Flash Point：

295°C

Refractive Index：

1.559

Water Solubility：

Insoluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

wgk germany：

safety instructions：

22-24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

S24/25

Drug Information

MeSH Entry Terms：

4,4'-dimethylbiphenyl

Di-p-tolyl Use and Manufacturing

Representative experimental procedure: A mixture of AuCl (11.6 mg, 0.050 mmol), phenylboronic acid (1a, 121.9 mg, 1.00 mmol), K2CO3 (152.0 mg, 1.10 mmol) in EtOH (8.0 mL) was heated at 50 C under open air for 24 h. The reaction mixture was filtered through a plug of Florisil washing with hexane-AcOEt (3:1). The filtrate was concentrated under reduced pressure, and the resulting residue was subjected to preparative thin-layer chromatography (hexane:AcOEt = 20:1) to afford biphenyl (2a, 58.6 mg, 76%).

Computed Properties

Molecular Weight:182.26
XLogP3:5.1
Rotatable Bond Count:1
Exact Mass:182.109550447
Monoisotopic Mass:182.109550447
Heavy Atom Count:14
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

50670-50-3

50670-50-3

50670-50-3

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