Products Categories
| CAS No.: | 766-05-2 |
|---|---|
| Name: | Cyclohexanecarbonitrile |
| Molecular Structure: | |
|
|
|
| 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 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
| 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% |
| Conditions | Yield |
|---|---|
| With tetra-(n-butyl)ammonium iodide In acetonitrile at 20℃; for 4h; Reagent/catalyst; Inert atmosphere; UV-irradiation; | 98% |
| 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% |
| 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 | 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 |
| 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% |
| 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% |
| 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 | 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 | Yield |
|---|---|
| In dichloromethane at 0℃; Irradiation; | 90% |
- 76609-47-74-(3-PICOLYL)-3-THIOSEMICARBAZIDE
- 766-15-44，4′-Dimethyldioxane-1，3
- 76622-74-7potassium (Z)-N-methyl-N-(1-oxo-9-octadecenyl)aminoacetate
- 7663-51-66a,7,8,9-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol
- 76639-94-6FLORFENICOL
- 766-47-22-ETHYNYLTOLUENE 97
- 766549-26-22-Chloro-4-hydroxyphenylboronic acid
- 76674-21-0Flutriafol
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
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%.
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.](/UserFilesUpload/Uses of Cyclohexanecarbonitrile.png)
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. |