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Merck
CN

35979

4-Isopropylaniline

PESTANAL®, analytical standard

Synonym(s):

p-Aminocumene, Cumidine

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About This Item

Linear Formula:
(CH3)2CHC6H4NH2
CAS Number:
99-88-7
Molecular Weight:
135.21
EC Number:
202-797-2
UNSPSC Code:
41116107
PubChem Substance ID:
329755242
Beilstein/REAXYS Number:
1930544
MDL number:
MFCD00007900

Key Documents

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InChI key

LRTFPLFDLJYEKT-UHFFFAOYSA-N

InChI

1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3

SMILES string

CC(C)c1ccc(N)cc1

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.543 (lit.)

bp

226-227 °C/745 mmHg (lit.)

density

0.989 g/mL at 25 °C (lit.)

application(s)

agriculture
environmental

format

neat

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

197.6 °F - closed cup

flash_point_c

92 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

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Luka A Wright et al.
Dalton transactions (Cambridge, England : 2003), 44(16), 7230-7241 (2015-03-20)
The 2-(2′-aniline)-6-imine-pyridines, 2-(C6H4-2′-NH2)-6-(CMe=NAr)C5H3N (Ar = 4-i-PrC6H4 (HL1a), 2,6-i-Pr2C6H3 (HL1b)), have been synthesised via sequential Stille cross-coupling, deprotection and condensation steps from 6-tributylstannyl-2-(2-methyl-1,3-dioxolan-2-yl)pyridine and 2-bromonitrobenzene. The palladium(II) acetate N,N,N-pincer complexes, [{2-(C6H4-2′-NH)-6-(CMe=NAr)C5H3N}Pd(OAc)] (Ar = 4-i-PrC6H4 (1a), 2,6-i-Pr2C6H3 (1b)), can be prepared by
Luka A Wright et al.
Dalton transactions (Cambridge, England : 2003), 44(13), 6040-6051 (2015-02-28)
The syntheses of two families of sterically tuneable O,N,N pro-ligands are reported, namely the 2-(phenyl-2'-ol)-6-imine-pyridines, 2-(C6H4-2'-OH),6-(CMe=NAr)C5H3N [Ar = 4-i-PrC6H4 (HL1(a)), 2,6-i-Pr2C6H3 (HL1(b))] and the 2-(phenyl-2'-ol)-6-(amino-prop-2-yl)pyridines, 2-(C6H4-2'-OH),6-(CMe2NHAr)C5H3N [Ar = 4-i-PrC6H4 (HL2(a)), 2,6-i-Pr2C6H3 (HL2(b))], using straightforward synthetic approaches and in reasonable overall

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