CAS No.70441-63-3,4-FLUORO-N-ISOPROPYLANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70441-63-3
Name:	4-FLUORO-N-ISOPROPYLANILINE
Article Data:	15

Formula:	C₉H₁₂FN
Molecular Weight:	153.199
Synonyms:	4-Fluoro-N-(1-methylethyl)benzenamine;4-fluoro-N-propan-2-yl-aniline;
Density:	1.045g/cm³
Boiling Point:	213.9 °C at 760mmHg
Flash Point:	83.1 °C
PSA:	12.03000
LogP:	2.71900

Synthetic route

: 350-46-9
4-Fluoronitrobenzene

: 67-64-1
acetone

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With chloroplatinic acid; sodium tetrahydroborate; hydrogen; titanium(IV) oxide In water at 70℃; Temperature; Large scale;	99.2%
With hydrogen at 60℃; under 5250.53 Torr; Autoclave;	93%

: 350-46-9
4-Fluoronitrobenzene

: 77-76-9
2,2-dimethoxy-propane

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With 3 % platinum on carbon; hydrogen; toluene-4-sulfonic acid In toluene at 70 - 80℃; under 3750.38 - 15001.5 Torr; for 4h; Reagent/catalyst; Temperature; Pressure; Solvent; Autoclave; Large scale;	98%

: 350-46-9
4-Fluoronitrobenzene

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
Pt on charcoal In water; acetone; toluene	97%
platinum In acetone

: 108-18-9
diisopropylamine

: 371-40-4
4-fluoroaniline

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium) In 5,5-dimethyl-1,3-cyclohexadiene at 155℃; for 10h; Inert atmosphere;	95%

: 67-64-1
acetone

: 371-40-4
4-fluoroaniline

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With iridium bromide; formic acid; zinc In water at 30℃; for 20h;	80%
With sodium tetrahydroborate
With sodium tetrahydroborate In neat (no solvent) at 20℃; for 0.5h; Catalytic behavior;	78 %Chromat.

: 371-40-4
4-fluoroaniline

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With sodium hydroxide; sodium borohydrid In acetic acid; acetone	71%

: 26245-56-7
N-chloroisopropylamine

: 181705-93-1
4-fluorophenylzinc bromide

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With triethylamine In toluene at 0 - 20℃; for 2h; Reagent/catalyst; Inert atmosphere;	58%

: 1493-23-8
(4-fluorophenyl)lithium

: 219943-31-4
N-isopropyl-O-(trimethylsilyl)hydroxylamine

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With CuCN In tetrahydrofuran at -50 - 20℃; for 2h; Arylation;	45%

: 75-26-3
isopropyl bromide

: 371-40-4
4-fluoroaniline

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 5h; Reflux;	43%

: 460-00-4
1-Bromo-4-fluorobenzene

: 70441-63-3
4-fluoro-N-isopropyl-aniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: cobalt(II) bromide; trifluoroacetic acid; 3-chloroprop-1-ene / acetonitrile / 0.05 h / 20 °C 1.2: 20 °C 2.1: triethylamine / toluene / 2 h / 0 - 20 °C / Inert atmosphere View Scheme

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Chemistry

Molecule structure of Benzenamine, 4-fluoro-N-(1-methylethyl)- (CAS NO.70441-63-3):

IUPAC Name: 4-Fluoro-N-propan-2-ylaniline
Molecular Weight: 153.196683 g/mol
Molecular Formula: C₉H₁₂FN
Density: 1.045 g/cm³
Boiling Point: 213.9 °C at 760 mmHg
Flash Point: 83.1 °C
Index of Refraction: 1.527
Molar Refractivity: 45.08 cm³
Molar Volume: 146.4 cm³
Surface Tension: 32.6 dyne/cm
Enthalpy of Vaporization: 45.02 kJ/mol
Vapour Pressure: 0.161 mmHg at 25 °C
XLogP3-AA: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 153.095378
MonoIsotopic Mass: 153.095378
Topological Polar Surface Area: 12
Heavy Atom Count: 11
Canonical SMILES: CC(C)NC1=CC=C(C=C1)F
InChI: InChI=1S/C9H12FN/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,1-2H3
InChIKey of Benzenamine, 4-fluoro-N-(1-methylethyl)- (CAS NO.70441-63-3): RMXBOQCXULAXBO-UHFFFAOYSA-N

Safety Profile

RIDADR: 2810
HazardClass: 6.1(b)
PackingGroup: III

Specification

Benzenamine, 4-fluoro-N-(1-methylethyl)- (CAS NO.70441-63-3) is also named as 4-Fluoro-N-(1-methylethyl)benzenamine .