CYCLOHEXANECARBONITRILE, 4-OXO-

Product Name: CYCLOHEXANECARBONITRILE, 4-OXO-
CAS No.: 34916-10-4
Chemical Name: CYCLOHEXANECARBONITRILE, 4-OXO-
Synonyms: 4-cyano-cyclohexanone;4-Isocyanocyclohexanone, 99%;4-OXOCYCLOHEXANECARBONITRILE;4-oxocyclohexane-1-carbonitrile;CYCLOHEXANECARBONITRILE, 4-OXO-;4-oxo-1-cyclohexanecarbonitrile;4-OXOCYCLOHEXANECARBONITRILE(WXC05700)
CBNumber: CB62465571
Molecular Formula: C7H9NO
Formula Weight: 123.15
MOL File: 34916-10-4.mol

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CYCLOHEXANECARBONITRILE, 4-OXO- Property

Boiling point:: 271℃
Density: 1.05
Flash point:: 118℃
storage temp.: 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Clear Colourless
InChI: InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h6H,1-4H2
InChIKey: QIWQJGMBIABGRX-UHFFFAOYSA-N
SMILES: C1(C#N)CCC(=O)CC1

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Safety

HS Code: 2926907090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P322Specific measures (see …on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P363Wash contaminated clothing before reuse.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: C982255
Product name: 4-Cyanocyclohexanone
Packaging: 500mg
Price: $80
Updated: 2021/12/16

TRC

Product number: C982255
Product name: 4-Cyanocyclohexanone
Packaging: 10g
Price: $585
Updated: 2021/12/16

Medical Isotopes, Inc.

Product number: 35077
Product name: 4-Oxo-cyclohexanecarbonitrile
Purity: 95+%
Packaging: 5G
Price: $720
Updated: 2021/12/16

Apolloscientific

Product number: OR953285
Product name: 4-Oxocyclohexanecarbonitrile
Purity: 96%
Packaging: 1g
Price: $174
Updated: 2021/12/16

Matrix Scientific

Product number: 076309
Product name: 4-Oxo-cyclohexanecarbonitrile
Purity: 95+%
Packaging: 1g
Price: $188
Updated: 2021/12/16

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CYCLOHEXANECARBONITRILE, 4-OXO- Chemical Properties,Usage,Production

Uses

4-Cyanocyclohexanone is used to prepare nicotinamides as PDE4 D isoenzymes inhibitors. It is also used as an anthranilic acid replacement in niacin receptor agonist.

Synthesis

69947-09-7

34916-10-4

The general procedure for the synthesis of 4-oxocyclohexanecarbonitrile from 1,4-dioxaspiro[4.5]decane-8-carbonitrile was as follows: to a 5000 mL three-necked flask were added 200.6 g (1.2 mol) of 1,4-dioxaspiro[4.5]decane-8-carbonitrile, 72 g (1.2 mol) of boric acid, 2000 mL (10 vol. eq.) of water and hydrochloric acid. Subsequently, 1000 mL (5 vol. eq.) of tetrahydrofuran and 500 mL (2.5 vol. eq.) of water were added, and the mixture was heated to 60°C. The reaction lasted for 2 hours. Samples were taken during the reaction and the progress of the reaction was monitored by gas chromatography (GC). The reaction was considered complete when the amount of remaining feedstock was less than 2%. The reaction mixture was cooled to room temperature and extracted by adding dichloromethane, which was repeated three times. The dichloromethane layers were combined and the solvent was removed by distillation under reduced pressure. Finally, the product was subjected to distillation at 100 °C and 2 mmHg to give 140.4 g of 4-oxocyclohexanecarbonitrile with 98% GC purity and 95% yield.

References

[1] Patent: CN108329234, 2018, A. Location in patent: Paragraph 0018-0022
[2] Patent: WO2007/13848, 2007, A1. Location in patent: Page/Page column 8-9
[3] Patent: EP3124482, 2017, A1. Location in patent: Paragraph 0211; 0213
[4] Patent: WO2007/50612, 2007, A1. Location in patent: Page/Page column 116-117
[5] Patent: WO2009/156100, 2009, A1. Location in patent: Page/Page column 156

CYCLOHEXANECARBONITRILE, 4-OXO- Preparation Products And Raw materials

Raw materials

Preparation Products

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CYCLOHEXANECARBONITRILE, 4-OXO- Suppliers

China 122 India 1 Switzerland 1 United States 9 Global 133

Suzhou Crst Pharmatech Co., Ltd.

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View Lastest Price from CYCLOHEXANECARBONITRILE, 4-OXO- manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: CYCLOHEXANECARBONITRILE, 4-OXO- 34916-10-4
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20T
Release date: 2024-08-08

Career Henan Chemical Co

Product: CYCLOHEXANECARBONITRILE, 4-OXO- 34916-10-4
Price: US $1.00/g
Min. Order: 1g
Purity: 99%
Supply Ability: 10000KGS
Release date: 2020-01-10

Nanjing jinheyou Trading Co., Ltd.

Product: 4-Oxocyclohexanecarbonitrile 34916-10-4
Price: US $0.00/g
Min. Order: 1EA
Purity: 95%min
Supply Ability: 20kgs/month
Release date: 2019-11-18

34916-10-4, CYCLOHEXANECARBONITRILE, 4-OXO-Related Search:

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4-OXOCYCLOHEXANECARBONITRILE

CYCLOHEXANECARBONITRILE, 4-OXO-

4-Isocyanocyclohexanone, 99%

4-cyano-cyclohexanone

4-oxocyclohexane-1-carbonitrile

4-OXOCYCLOHEXANECARBONITRILE(WXC05700)

4-oxo-1-cyclohexanecarbonitrile

34916-10-4