CAS No.108-91-8,Cyclohexanamine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	108-91-8
Name:	Cyclohexanamine
Article Data:	607
Cas Database

Formula:	C₆H₁₃ N
Molecular Weight:	99.1759
Synonyms:	Cyclohexylamine(6CI,8CI);1-Aminocyclohexane;1-Cyclohexylamine;Aminocyclohexane;Aminohexahydrobenzene;Benzenamine, hexahydro-;Hexahydroaniline;Monocyclohexylamine;Cyclohexylamine Acid;
EINECS:	203-629-0
Density:	0.869 g/cm³
Melting Point:	-17 °C
Boiling Point:	134.5 °C at 760 mmHg
Flash Point:	32.2 °C
Solubility:	miscible with water
Appearance:	clear liquid
Hazard Symbols:	C
Risk Codes:	10-21/22-34
Safety:	36/37/39-45-1/2
Transport Information:	UN 2357 8/PG 2
PSA:	26.02000
LogP:	1.97810

Related products

Synthetic route

: 62-53-3
aniline

: 108-91-8
cyclohexylamine

Conditions

Conditions	Yield
With hydrogen In water at 100℃; under 15001.5 Torr; for 1.5h;	100%
Stage #1: aniline With ammonia; hydrogen at 120℃; under 45004.5 Torr; Stage #2: at 150℃;	97.3%
With hydrogen; [(norbornadiene)rhodium(I)chloride]2; phosphinated polydiacetylene In n-heptane at 30℃; under 60800 Torr; for 17h;	80%

: 1122-60-7
1-nitrocyclohexane

: 108-91-8
cyclohexylamine

Conditions

Conditions	Yield
With potassium hydroxide; hydrogen In methanol; water Devarda copper electrode;	100%
With carbon monoxide; Au/TiO2-VS; water In ethanol at 25℃; under 3800.26 Torr; for 4h; Autoclave; chemoselective reaction;	100%
With indium; ammonium chloride In ethanol Heating;	100%

: 19028-72-9
N-(2-hydroxybenzylidene)cyclohexylamine

: 109-73-9
N-butylamine

A: 2565-54-0
(E)-2-((butylimino)methyl)phenol

B: 108-91-8
cyclohexylamine

Conditions

Conditions	Yield
In [D3]acetonitrile at 25℃; Equilibrium constant; Molecular sieve;	A 100% B n/a

...Expand

: C15H20N2O

: 109-73-9
N-butylamine

A: C13H18N2O

B: 108-91-8
cyclohexylamine

Conditions

Conditions	Yield
In [D3]acetonitrile at 25℃; Equilibrium constant; Molecular sieve;	A 100% B n/a

...Expand

: C14H20N2O2S

: 109-73-9
N-butylamine

A: C12H18N2O2S

B: 108-91-8
cyclohexylamine

Conditions

Conditions	Yield
In [D3]acetonitrile at 25℃; Equilibrium constant; Molecular sieve;	A 100% B n/a

...Expand

: 2387-23-7
1,3-Dicyclohexylurea

: 108-91-8
cyclohexylamine

Conditions

Conditions	Yield
With sodium hydroxide at 450℃; for 8h; Temperature; Autoclave; Large scale;	99.49%

: 25070-80-8
prop-2'-en-1'-yl cyclohexylcarbamate

: 108-91-8
cyclohexylamine

Conditions

Conditions	Yield
With tris(2,2'-bipyridine)nickel(II) tetrafluoroborate In N,N-dimethyl-formamide at 20℃; allyl carbamate cleavage; Electrochemical reaction; Zn/stainless steel couple electrodes; current intensity 60 mA; supporting electrolite: tetrabutylammonium tetrafluoroborate;	99%
With aniline; (ϖ-allyl)palladium triflate based catalyst at 30℃;	99%
With formic acid; triphenylphosphine; tris(dibenzylideneacetone)dipalladium(0) chloroform complex In tetrahydrofuran at 30℃; for 3h;	100 % Chromat.
With trifluorormethanesulfonic acid; [RuCp(η3-C3H5)(QA)]PF6, QA=quinaldic acid In methanol at 30℃; for 2h;	99 % Spectr.

: 1122-60-7
1-nitrocyclohexane

12percent nickel/Al-SBA-15 fiber: 12percent nickel/Al-SBA-15 fiber

: 108-91-8
cyclohexylamine

Conditions

Conditions	Yield
With hydrogen In ethanol at 109.84℃; under 18751.9 Torr; for 7.5h; Autoclave; Green chemistry; chemoselective reaction;	99%

: 62-53-3
aniline

A: 110-82-7
cyclohexane

B: 108-91-8
cyclohexylamine

C: 101-83-7
N-cyclohexyl-cyclohexanamine

D: 110-83-8
cyclohexene

Conditions

Conditions	Yield
With ammonia; hydrogen at 180 - 200℃;	A n/a B 98.4% C 0.08% D n/a
With hydrogen at 160 - 200℃; under 150015 Torr;	A n/a B 95.9% C 0.45% D n/a

...Expand

: 2550-26-7
4-Phenyl-2-butanone

: 108-94-1
cyclohexanone

A: 937-52-0
(R)-1-methyl-3-phenylpropylamine

B: 108-91-8
cyclohexylamine

Conditions

Conditions	Yield
With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase; ammonium formate; nicotinamide adenine dinucleotide In aq. buffer at 30℃; for 24h; pH=8.8; Catalytic behavior; Green chemistry; Enzymatic reaction;	A 4.5% B 98.2%

...Expand

Raw Materials

57-13-6

107-21-1

Downstream Products

110-83-8

538-75-0

56-84-8

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Specification

The Cyclohexylamine, with the cas registry number 108-91-8, is a kind of colorless liquid with an odor of ammonia. Being sensitive to air and light, it is soluble in water and may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Besides, its product categories are including Pharmaceutical Intermediates.

The physical properties of this chemical are as follows: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.7; (4)ACD/LogD (pH 7.4): -1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 31.22 cm³; (15)Molar Volume: 114 cm³; (16)Polarizability: 12.37 ×10^-24cm³; (17)Surface Tension: 31.4 dyne/cm; (18)Density: 0.869 g/cm³; (19)Flash Point: 32.2 °C; (20)Enthalpy of Vaporization: 36.14 kJ/mol; (21)Boiling Point: 134.5 °C at 760 mmHg; (22)Vapour Pressure: 8.07 mmHg at 25°C.

Use of this chemical: Cyclohexylamine could react with N-tert-Butyl-3-oxobutyramid to produce N-tert-Butyl-3-(cyclohexylamino)crotonsaeure-amid, with the following condition: reagent: conc. HCl ; solvent: CH₂Cl₂; reaction temp.: 2 hours; yield: 87%.

As to its usage, it is widely applied in many ways. It could be used as the thiofide, the raw material for synthetic fibre, dye and vapour-phase inhibitor; It could also used in producing reactive dye, softening agent, solaziquone, and as the intermediate of phytocide Hexazinone, rubber accelerator, petroleum additive and rust inhibitor; Then it is usually used in organic synthesis, rubber synthesis, and also could be as the preservative and sour gas absorbent. When store it, keep it in a dry, cool and well-ventilated place, away from the oxidizing agent, acids.

When you are dealing with this kind of chemical, you should be much more careful and then take some measures to protect yourself. For one thing, it is corrosive which may destroy living tissue on contact. If in contact with skin and if swallowed, it will be harmful. For another thing, it is flammable and then causes burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). When store it, keep locked up and out of the reach of children.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1CCC(CC1)N
(2)InChI: InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
(3)InChIKey: PAFZNILMFXTMIY-UHFFFAOYSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	200mg/kg (200mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 65(1), Pg. 53S, 1969.
guinea pig	LCLo	inhalation	1200ppm/7H (1200ppm)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Industrial Medicine and Surgery. Vol. 19, Pg. 317, 1950.
mammal (species unspecified)	LD50	intraperitoneal	200mg/kg (200mg/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES VASCULAR: SHOCK LIVER: OTHER CHANGES	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 5, Pg. 311, 1952.
mouse	LC50	inhalation	1070mg/m3 (1070mg/m3)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 7(11), Pg. 51, 1963.
mouse	LD50	intraperitoneal	129mg/kg (129mg/kg)		Pharmaceutical Chemistry Journal Vol. 22, Pg. 469, 1988.
mouse	LD50	intravenous	200mg/kg (200mg/kg)		International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
mouse	LD50	oral	224mg/kg (224mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 41, 1982.
mouse	LD50	subcutaneous	1150mg/kg (1150mg/kg)		Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. Vol. 4, Pg. 659, 1958.
mouse	LD50	unreported	770mg/kg (770mg/kg)		Toxicology and Applied Pharmacology. Vol. 14, Pg. 654, 1969.
rabbit	LCLo	inhalation	150ppm/7H (150ppm)		Industrial Medicine and Surgery. Vol. 19, Pg. 317, 1950.
rabbit	LD50	skin	320uL/kg (0.32mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rabbit	LDLo	parenteral	500mg/kg (500mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Industrial and Engineering Chemistry. Vol. 29, Pg. 1247, 1937.
rat	LC50	inhalation	7500mg/m3 (7500mg/m3)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 7(11), Pg. 51, 1963.
rat	LD50	intraperitoneal	300mg/kg (300mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 65(1), Pg. 53S, 1969.
rat	LD50	oral	11mg/kg (11mg/kg)	BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI GASTROINTESTINAL: OTHER CHANGES	National Technical Information Service. Vol. OTS0534836,

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