CAS No.766-05-2,Cyclohexanecarbonitrile Suppliers

Products Categories

Pharmaceutical (69)
Organic Chemicals (27)
Others (10)
Reagent (6)
Materials (5)

Basic Information

Molecular Structure:
CAS No.:	766-05-2
Name:	Cyclohexanecarbonitrile
Article Data:	142

Formula:	C₇H₁₁N
Molecular Weight:	109.171
Synonyms:	Cyanocyclohexane;Cyclohexanecarboxylic acid nitrile;Cyclohexanenitrile;Cyclohexyl cyanide;Hexahydrobenzonitrile;NSC 17557;
EINECS:	212-157-4
Density:	0.91 g/cm³
Melting Point:	11 °C(lit.)
Boiling Point:	199.8 °C at 760 mmHg
Flash Point:	68.8 °C
Hazard Symbols:	T
Risk Codes:	24/25-36/37/38-23/24/25
Safety:	36/37-45-36/37/39-26-23
Transport Information:	UN 3276 6.1/PG 3
PSA:	23.79000
LogP:	2.09028

Synthetic route

: 4715-11-1
cyclohexanecarbaldoxime

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
With nickel(II) chloride dihydrate In acetonitrile at 80℃; Molecular sieve; Inert atmosphere;	100%
With MIL-100 (Fe)-NH4F In o-xylene at 153 - 160℃; for 1h; Dean-Stark; Inert atmosphere;	97%
With phosphoric acid diethyl ester 2-phenylbenzimidazol-1-yl ester; triethylamine In acetonitrile at 20℃; for 0.916667h;	94%

: N(C4H9)4(1+)*Cu(1+)*2CN(1-)=(N(C4H9)4)[Cu(CN)2]

: 542-18-7
cyclohexyl chloride

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In acetonitrile at 20℃; for 4h; Reagent/catalyst; Inert atmosphere; UV-irradiation;	98%

: 3218-02-8
cyclohexylmethylamine

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
With pyridine; Oxone; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; Pyridine hydrobromide In dichloromethane at 20℃; for 12h; Green chemistry;	97%
With pyridine; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate In dichloromethane at 20℃; for 12h; Inert atmosphere;	95%
With water; potassium hydroxide at 25℃; pH=13.6; Electrochemical reaction;	95%

: 2719-27-9
cyclohexanylcarbonyl chloride

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
With sulfonamide In sulfolane at 120℃; for 3h;	95%

: 19888-79-0
1-cyclohexanecarboxaldehyde N,N-dimethylhydrazone

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
With pyridine; dihydrogen peroxide; acetic acid; methyltrioxorhenium(VII) In water; acetonitrile for 0.25h;	95%
Multi-step reaction with 2 steps 1: benzene / 7 h / Heating 2: NaOMe / methanol / 4 h / Heating View Scheme

: 100-49-2
cyclohexylmethyl alcohol

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
With ammonia at 210℃; Inert atmosphere;	95%
With nitrogen; ammonia at 240℃; Heating;	88%
With ammonium hydroxide; dihydrogen peroxide In water; acetonitrile at 50℃; for 8h;	76%

: 2043-61-0
cyclohexanecarbaldehyde

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
With ammonia; iodine In tetrahydrofuran; water at 20℃; for 0.166667h;	94%
Stage #1: cyclohexanecarbaldehyde With 3 A molecular sieve; hydroxylamine hydrochloride; 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 20℃; for 10h; Stage #2: With ethyl phosphodichloridite In dichloromethane at 20℃; for 5h; Further stages.;	92%
With bismuth(lll) trifluoromethanesulfonate; acetylhydroxamic acid In acetonitrile for 24h; Reflux;	88%

: 1122-56-1
cyclohexylcarboxamide

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
With trichloromethyl chloroformate In various solvent(s) 0-5 deg C then heated to 60 deg C, 5 min;	93%
With lead acetate In dichloromethane for 12h; Reflux;	90%
With oxalyl dichloride; triethylamine In dimethyl sulfoxide; acetonitrile at 20℃; for 0.666667h; Swern Oxidation;	87%

: 61540-43-0
Dimethyl-dithiocarbamic acid 1-cyano-cyclohexyl ester

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 80℃; for 5h;	93%

: 24225-08-9
methanesulfonyl cyanide

: 105398-69-4
Cyclohexanecarboxylic acid 2-thioxo-2H-pyridin-1-yl ester

: 766-05-2
cyclohexane carbonitrile

Conditions

Conditions	Yield
In dichloromethane at 0℃; Irradiation;	90%

Total:102 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 766-05-2

Specification

The Cyclohexanecarbonitrile with CAS registry number of 766-05-2 is also known as Cyclohexanecarboxylic acid nitrile. The IUPAC name and product name are tha same. It belongs to product categories of C6 to C7; Cyanides/Nitriles; Nitrogen Compounds. Its EINECS registry number is 212-157-4. In addition, the formula is C₇H₁₁N and the molecular weight is 109.17. This chemical at low levels causes damage to health that should be sealed in ventilated and dry place without light at room temperature.

Physical properties about Cyclohexanecarbonitrile are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 9.9; (6)ACD/BCF (pH 7.4): 9.9; (7)ACD/KOC (pH 5.5): 179.53; (8)ACD/KOC (pH 7.4): 179.53; (9)#H bond acceptors: 1; (10)Index of Refraction: 1.451; (11)Molar Refractivity: 32.32 cm³; (12)Molar Volume: 119.9 cm³; (13)Surface Tension: 33.2 dyne/cm; (14)Density: 0.91 g/cm³; (15)Flash Point: 68.8 °C; (16)Enthalpy of Vaporization: 43.6 kJ/mol; (17)Boiling Point: 199.8 °C at 760 mmHg; (18)Vapour Pressure: 0.335 mmHg at 25 °C.

Preparation of Cyclohexanecarbonitrile: it is prepared by reaction of cyclohexanecarboxylic acid amide. The reaction needs reagents bis(trichloromethyl) carbonate, triethylamine and solvent CHCl₃ at the temperature of 50 °C for 2 hours. The yield is about 76%.

Cyclohexanecarbonitrile is prepared by reaction of cyclohexanecarboxylic acid amide.

Uses of Cyclohexanecarbonitrile: it is used to produce 1-(6-methyl-4-oxo-2-phenyl-3,4-dihydro-2H-[1,3]oxazin-2-yl)-cyclohexanecarbonitrile by reaction with 6-methyl-2-phenyl-[1,3]oxazin-4-one. The reaction occurs with reagents BuLi, N-isopropyl-N-cyclohexylamine and solvent tetrahydrofuran at the temperature of -70 °C for 2 hours. The yield is about 83%.

Cyclohexanecarbonitrile is used to produce 1-(6-methyl-4-oxo-2-phenyl-3,4-dihydro-2H-[1,3]oxazin-2-yl)-cyclohexanecarbonitrile by reaction with 6-methyl-2-phenyl-[1,3]oxazin-4-one.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe gas/fumes/vapour/spray. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC(CC1)C#N
2. InChI: InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
3. InChIKey: VBWIZSYFQSOUFQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rabbit	LDLo	skin	200mg/kg (200mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
rat	LD50	oral	80mg/kg (80mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.