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4-Butoxybenzenamine

4-Butoxybenzenamine structure

CAS No:
4344-55-2
Formula:
C10H15NO
Chemical Name:
4-Butoxybenzenamine
Synonyms:
Benzenamine,4-butoxy-;Aniline,p-butoxy-;4-Butoxybenzenamine;p-Butoxyaniline;4-Butoxyaniline;p-Butyloxyaniline;p-n-Butoxyaniline;(4-Butoxyphenyl)amine;4-Amino-1-butoxybenzene;NSC 5443
Categories:
Specialty Chemicals

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Description

CLEAR DARK BROWN LIQUID

4-Butoxybenzenamine Basic Attributes

Molecular Weight：

165.236

Exact Mass：

165.23

EC Number：

224-402-2

UNII：

P0PI549RZ4

NSC Number：

5443

DSSTox ID：

DTXSID4048199

HScode：

2922299090

Characteristics

PSA：

35.2

XLogP3：

2.6

Appearance：

clear dark brown liquid

Density：

1.0±0.1 g/cm3

Melting Point：

130-132 °C

Boiling Point：

143-144 °C @ Press: 12 Torr

Flash Point：

123.6±13.1 °C

Refractive Index：

1.530

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S28-S36/37/39-S45

RTECS Number：

BW9420000

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Butoxybenzenamine Use and Manufacturing

Methods of Manufacturing

General procedure: The appropriate 1-alkyloxy-4-nitrobenzene (0.0270 mol) was dissolved in 70 mL of ethanol. Tinchloride (0.119 mol) was dissolved in 30 mL of ethanol and was added dropwise. The reaction wasset to take place for two hours at 80 °C. The crude product was extracted twice in a mixture of ethylacetate/water (1:1), in which 60 g of potassium carbonate was dissolved. The organic solvent wasevaporated at reduced pressure and the product was obtained as a yellow oil. Yield ranged between65 and 85percent. 4-Butoxyaniline (3a). 1H-NMR (DMSO-d6): (δ, ppm) = 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). Yield 65percent.General procedure: These syntheses were carried out in one step as per De Marco et al. [24] Aminophenol (92 mmol) and a suspension of NaH in mineral oil (275 mmol NaH) were suspended in dry DMF (100 mL). The corresponding alkylbromide (137 mmol) was added dropwise and the mixture was then stirred for 24 h at room temperature. The reaction was quenched by adding 400 mL of distilled water and the aqueous layer was extracted with 3 × 150 mL of ethyl acetate. Collected organic layers were dried over anhydrous Na

Manufacturing Info：

Benzenamine, 4-butoxy-: INACTIVE

Computed Properties

Molecular Weight:165.23
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:165.115364102
Monoisotopic Mass:165.115364102
Topological Polar Surface Area:35.2
Heavy Atom Count:12
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Disodium sulfide

Sodium bromide

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