ChemicalBook--->CAS DataBase List--->4344-55-2

4344-55-2

4344-55-2 Structure

4344-55-2 Structure
IdentificationMore
[Name]

4-BUTOXYANILINE
[CAS]

4344-55-2
[Synonyms]

4-AMINOPHENYL BUTYL ETHER
4-BUTOXYANILINE
4-(BUTYLOXY)ANILINE
4-BUTYLOXYBENZENAMINE
4-N-BUTOXYANILINE
AKOS BBB/082
AKOS BC-2572
LABOTEST-BB LT01143388
P-BUTOXYANILINE
TIMTEC-BB SBB008295
4-butoxy-benzenamin
aminophenyl-n-butylether
Aniline, p-butoxy-
p-Aminophenol n-butyl ether
p-aminophenoln-butylether
p-Aminophenyl-n-butyl ether
p-butoxy-anilin
p-Butyloxyaniline
n-But-O-C6H4-NH2
4-n-Butoxyaniline,97%
[EINECS(EC#)]

224-402-2
[Molecular Formula]

C10H15NO
[MDL Number]

MFCD00007866
[Molecular Weight]

165.23
[MOL File]

4344-55-2.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR DARK BROWN LIQUID
[Melting point ]

130-132 °C
[Boiling point ]

148-149 °C13 mm Hg(lit.)
[density ]

0.992 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.538(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

clear liquid
[pka]

5.23±0.10(Predicted)
[color ]

Colorless to Brown
[Specific Gravity]

approximate 1
[BRN ]

2084421
[InChI]

1S/C10H15NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8,11H2,1H3
[InChIKey]

UBRIHZOFEJHMIT-UHFFFAOYSA-N
[SMILES]

CCCCOc1ccc(N)cc1
[CAS DataBase Reference]

4344-55-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenamine, 4-butoxy-(4344-55-2)
[EPA Substance Registry System]

4344-55-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

2810
[WGK Germany ]

3
[RTECS ]

BW9420000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29214200
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium sulfide-->Sodium bromide-->1-Bromobutane-->Sodium 4-nitrophenoxide-->4-N-BUTOXYNITROBENZENE-->Diethylene glycol diethyl ether-->1-Chlorobutane-->4-Aminophenol-->Stannous chloride-->Ethanol
[Preparation Products]

4-N-BUTOXYBENZONITRILE-->Benzothiazole, 6-butoxy-2-chloro--->2-Benzothiazolamine,6-butoxy-(9CI)
Hazard InformationBack Directory
[Chemical Properties]

CLEAR DARK BROWN LIQUID
[Uses]

4-Butoxyaniline was used in the preparation of:
  • bis-4-butoxyphenyl-4,4′-(2,2′-bipyridyl)carbamide
  • 1-(4-butoxyphenyl)-3-(6-methyl-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl)urea
[General Description]

4-Butoxyaniline undergoes low-pressure hydrogenation in the presence of rhodium on alumina to yield 4-butoxycyclohexylamine.
[Synthesis]

4-N-BUTOXYNITROBENZENE

7244-78-2

4-BUTOXYANILINE

4344-55-2

GENERAL METHOD: 1-butoxy-4-nitrobenzene (0.0270 mol) was dissolved in 70 mL of ethanol. Tin chloride (0.119 mol) was dissolved in 30 mL of ethanol and added dropwise to the reaction system. The reaction was stirred continuously at 80 °C for 2 hours. Upon completion of the reaction, the crude product was extracted twice with a solvent mixture of ethyl acetate/water (1:1, v/v) and 60 g of potassium carbonate was added to the aqueous phase to neutralize the acidic by-products. The organic phases were combined and the solvent was removed by evaporation under reduced pressure to give the yellow oily product 4-butoxyaniline. Yields ranged from 65% to 85%. For 4-butoxyaniline (3a), the 1H-NMR (DMSO-d6) data were as follows: δ 6.64 (d, 2H), 6.52 (d, 2H), 4.56 (s, 2H), 3.58 (t, 2H), 1.75 (m, 2H), 1.39 (m, 2H), 0.99 (t, 3H). The yield of 4-butoxyaniline under this experimental condition was 65%.

[References]

[1] Science China Chemistry, 2011, vol. 54, # 11, p. 1726 - 1734
[2] Molecules, 2017, vol. 22, # 8,
[3] Molecular Crystals and Liquid Crystals, 2009, vol. 510, p. 250 - 258
[4] Synthetic Communications, 1981, vol. 11, # 11, p. 925 - 930
[5] Journal of the American Chemical Society, 1922, vol. 44, p. 1744
Spectrum DetailBack Directory
[Spectrum Detail]

4-BUTOXYANILINE(4344-55-2)MS
4-BUTOXYANILINE(4344-55-2)1HNMR
4-BUTOXYANILINE(4344-55-2)13CNMR
4-BUTOXYANILINE(4344-55-2)IR1
4-BUTOXYANILINE(4344-55-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Butoxyaniline, 97%(4344-55-2)
[Alfa Aesar]

4-n-Butoxyaniline, 97%(4344-55-2)
[Sigma Aldrich]

4344-55-2(sigmaaldrich)
[TCI AMERICA]

4-Butoxyaniline,>98.0%(GC)(4344-55-2)
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