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111-26-2

Basic Information
CAS No.: 111-26-2
Name: 1-Hexanamine
Article Data: 229
Cas Database
Molecular Structure:
Molecular Structure of 111-26-2 (1-Hexanamine)
Formula: C6H15 N
Molecular Weight: 101.192
Synonyms: Hexylamine(6CI,8CI); 1-Aminohexane; 1-Hexaneamine; 1-Hexylamine; ENT 16554;Mono-n-hexylamine; NSC 2590; n-Hexylamine
EINECS: 203-851-8
Density: 0.766
Melting Point: −23 °C(lit.)
Boiling Point: 131-132 °C(lit.)
Flash Point: 27 ºC
Solubility: 14 g/L (20 ºC)
Appearance: colourless liquid
Hazard Symbols:
Risk Codes: R10;R20/21/22;R35   
Safety: A poison by intraperitoneal route. Moderately toxic by ingestion, inhalation, and skin contact. A severe skin and eye irritant. Dangerous fire hazard when exposed to heat or flame; can react with oxidizing materials. To fight fire, use alcohol foam, CO2, dry chemical. Upon decomposition it emits toxic fumes of NOx. See also AMINES.
Transport Information: UN 2734
PSA: 26.02000
LogP: 2.22570
Synthetic route
646-14-0

1-nitrohexane

111-26-2

hexan-1-amine

Conditions
ConditionsYield
With carbon monoxide; Au/TiO2-VS; water In ethanol at 25℃; under 3800.26 Torr; for 5.5h; Autoclave; chemoselective reaction;100%
With trichlorosilane; N-ethyl-N,N-diisopropylamine In acetonitrile at 15℃; for 18h;100%
With 5%-palladium/activated carbon; hydrogen In para-xylene; isopropyl alcohol at 25℃; under 760.051 Torr; Reagent/catalyst; Temperature;100%
628-73-9

hexanenitrile

111-26-2

hexan-1-amine

Conditions
ConditionsYield
With triethylamine alane In tetrahydrofuran for 0.5h; Ambient temperature;96.5%
With hydrogen; aluminum oxide; silica gel; nickel In methanol; ammonia at 160℃; under 7600 Torr; for 1h;95%
With palladium; hydrogen In ethanol at 50℃; under 3750.38 Torr; for 24h; Temperature;90%
20320-48-3

N-hexylphthalimide

A

111-26-2

hexan-1-amine

B

612-14-6

phthalyl alcohol

Conditions
ConditionsYield
With C25H19BrMnN2O2P; potassium tert-butylate; hydrogen In tetrahydrofuran at 130℃; under 22502.3 Torr; for 48h; Inert atmosphere; Glovebox; Autoclave; Green chemistry;A 95%
B 90%
With [Ru(PtBuNNHtBu)H(CO)Cl]; potassium tert-butylate; hydrogen In tetrahydrofuran at 110℃; under 15001.5 Torr; for 24h; Autoclave;
628-02-4

Caproamide

111-26-2

hexan-1-amine

Conditions
ConditionsYield
With triethylamine alane In tetrahydrofuran for 48h; Ambient temperature;93%
With hydrogen; hexarhodium hexadecacarbonyl; decacarbonyldirhenium(0) In 1,2-dimethoxyethane; diethylamine at 180℃; under 76000 Torr; for 8h;76%
With sodium tetrahydroborate; methanesulfonic acid In dimethyl sulfoxide74%
6926-45-0

1-azidohexane

111-26-2

hexan-1-amine

Conditions
ConditionsYield
With formiate d'ammonium; palladium on activated charcoal In methanol Ambient temperature;93%
With formiate d'ammonium; palladium on activated charcoal In methanol Product distribution; Ambient temperature;93%
With sodium tetrahydroborate; lithium chloride In tetrahydrofuran at 0 - 35℃; for 0.5h;90%
628-73-9

hexanenitrile

A

111-26-2

hexan-1-amine

B

143-16-8

dihexylamine

Conditions
ConditionsYield
With hydrogen; aluminum oxide; carbon monoxide In cyclohexane at 120℃; under 152000 Torr; for 2.73333h;A 91%
B 9%
With ammonium hydroxide; chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen at 100℃; under 20686.5 Torr; for 24h; Autoclave; Green chemistry; chemoselective reaction;
66-25-1

hexanal

111-26-2

hexan-1-amine

Conditions
ConditionsYield
With ammonium formate In toluene at 80℃; for 4h; Reagent/catalyst; Inert atmosphere; chemoselective reaction;91%
With ammonium hydroxide; ammonium acetate; hydrogen; [Ru(cod)Cl]2; trisodium tris(3-sulfophenyl)phosphine In toluene at 145℃; under 48754.9 Torr; for 10h;45 % Chromat.
Multi-step reaction with 3 steps
1: 1,4-dioxane / 0.5 h / 60 °C / Inert atmosphere
2: copper(l) iodide; caesium carbonate / 1,4-dioxane / 3.5 h / 110 °C / Inert atmosphere
3: hydrazine hydrate / 1,4-dioxane / 110 °C / Inert atmosphere
View Scheme
628-73-9

hexanenitrile

A

111-26-2

hexan-1-amine

B

143-16-8

dihexylamine

C

102-86-3

tri-n-hexylamine

Conditions
ConditionsYield
With hydrogen; Pt/Al2O3 In cyclohexane at 120℃; under 152000 Torr; for 2.66667h;A 5.6%
B 89%
C 5.4%
With hydrogen; aluminum oxide; nickel In cyclohexane at 120℃; under 152000 Torr; for 0.416667h; Product distribution; variation of temperature, time, catalyst;A 57.5%
B 41.3%
C 1.2%
207558-25-6

hexylcarbamic acid tert-butyl ester

111-26-2

hexan-1-amine

Conditions
ConditionsYield
With nitric acid In dichloromethane at 0℃; for 1h;89%
20320-48-3

N-hexylphthalimide

111-26-2

hexan-1-amine

Conditions
ConditionsYield
With hydrazine hydrate In 1,4-dioxane at 110℃; Gabriel Amine Synthesis; Inert atmosphere;84%
With potassium hydroxide; sodium hydroxide at 200 - 280℃; Yield given;
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Chemistry

Chemical Name: Hexylamine
IUPAC NAME: Hexan-1-amine
CAS No.: 111-26-2
EINECS: 203-851-8
RTECS: MQ4540000
RTECS Class: Primary Irritant
EC Class: Flammable, Harmful, Corrosive
Molecular Formula: C6H15N
Molecular Weight: 101.19 g/mol
Melting Point: -23 °C(lit.)
Density: 0.77 g/cm3 
Flash Point: 8.9 °C
Boiling Point: 131.8 °C at 760 mmHg
Water Solubility: 14 g/L (20 ºC)
Sensitive: Air Sensitive
Following is the structure of Hexylamine (111-26-2):


Product Categories about are Alkylamines ; Monofunctional & alpha,omega-Bifunctional Alkanes ; Monofunctional Alkanes
The chemical synonymous of are Ethyl-N-butylamine ; Hexylamine ; 1-Amine-N-hexane ; 1-Aminohexane ; 1-Hexylamine ; Amine C6 ; Rarechem Al Bw 0240 ; N-hexylamine

Toxicity Data With Reference

1.    

eye-rbt 750 µg/24H SEV

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,434.
2.    

skn-rbt 500 mg open SEV

    UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 11/3 ,1971.
3.    

eye-rbt 5 mg MOD

    UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 11/3 ,1971.
4.    

orl-rat LD50:670 mg/kg

    AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
5.    

ihl-rat LCLo:500 ppm/4H

    AEHLAU    Archives of Environmental Health. 1 (1960),343.
6.    

ipr-mus LDLo:16 mg/kg

    CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 2 (1950),188.
7.    

skn-rbt LD50:420 mg/kg

    AEHLAU    Archives of Environmental Health. 1 (1960),343.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A poison by intraperitoneal route. Moderately toxic by ingestion, inhalation, and skin contact. A severe skin and eye irritant. Dangerous fire hazard when exposed to heat or flame; can react with oxidizing materials. To fight fire, use alcohol foam, CO2, dry chemical. Upon decomposition it emits toxic fumes of NOx. See also AMINES.
Hazard Note: Irritant/Flammable/Corrosive/Air Sensitive
Hazard Codes:
C: Corrosive
F: Flammable
Xi: Irritant
Risk Statements about Hexylamine (111-26-2):
R10 Flammable. 
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed. 
R35 Causes severe burns. 
Safety Statements about Hexylamine (111-26-2):
S16 Keep away from sources of ignition - No smoking. 
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
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 the label where possible). 
Attention:
1. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
2. Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.

Standards and Recommendations

DOT Classification:  8; Label: Corrosive, Flammable Liquid (UN 2734); DOT Class: 3; Label: Flammable Liquid, Corrosive (UN 2733)