ChemicalBook > CAS DataBase List > 7-CYANOINDOLE

7-CYANOINDOLE

Product Name: 7-CYANOINDOLE
CAS No.: 96631-87-7
Chemical Name: 7-CYANOINDOLE
Synonyms: 7-CyanoindoL;7-Cyanoindole;7-carbonitrile;7-Cyano-1H-indole;Ondansetron Impurity 13;1H-Indole-7-carbonitrile;1H-Indole-7-carbonitrile 97%;7-CHOROINDOLE-3-CARBOXALDEHYDE;7-CYANOINDOLE in stock Factory;Hydrogenated（docosanoic acid）Phosphatidylcholine
CBNumber: CB2511539
Molecular Formula: C9H6N2
Formula Weight: 142.16
MOL File: 96631-87-7.mol

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7-CYANOINDOLE Property

Melting point:: 95-96 °C
Boiling point:: 350.0±15.0 °C(Predicted)
Density: 1.24±0.1 g/cm3(Predicted)
storage temp.: 2-8°C(protect from light)
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Solid
pka: 14.61±0.30(Predicted)
color: White to Pale Yellow
InChI: InChI=1S/C9H6N2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,11H
InChIKey: NTUHBYLZRBVHRS-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2C#N)C=C1
CAS DataBase Reference: 96631-87-7(CAS DataBase Reference)

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Safety

Hazard Codes: Xn
Risk Statements: 20/21/22-22
Safety Statements: 22-36/37/39
RIDADR: 3439
HazardClass: IRRITANT
HS Code: 2933998090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

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

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).

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

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: CDS008484
Product name: 7-cyanoindole
Purity: Aldrich<SUP>CPR</SUP>
Packaging: 100 mg
Price: $107
Updated: 2025/07/31

TRC

Product number: C981330
Product name: 7-Cyanoindole
Packaging: 5g
Price: $325
Updated: 2021/12/16

Matrix Scientific

Product number: 057849
Product name: 1H-Indole-7-carbonitrile
Purity: 95%
Packaging: 500mg
Price: $25
Updated: 2021/12/16

Matrix Scientific

Product number: 057849
Product name: 1H-Indole-7-carbonitrile
Purity: 95%
Packaging: 1g
Price: $39
Updated: 2021/12/16

AK Scientific

Product number: J99756
Product name: 7-Cyanoindole
Packaging: 1g
Price: $40
Updated: 2021/12/16

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7-CYANOINDOLE Chemical Properties,Usage,Production

Uses

1H-Indole-7-carbonitrile is a chemical reagent used in the synthesis of triazole derivatives as anti-fungal agents. A reagent in the preparation of HIV-1 attachment inhibitors.

Synthesis

51417-51-7

557-21-1

96631-87-7

General procedure for the synthesis of 7-cyanoindoles from 7-bromoindoles and zinc cyanide: Pd(PPh3)4 (103 mg, 0.09 mmol) was added to a mixture of 7-bromo-1H-indole (588 mg, 3 mmol) and Zn(CN)2 in degassed DMF (10 mL). The reaction vial was sealed and heated in a microwave reactor at 170 °C for 15 min. After completion of the reaction, the reaction mixture was diluted with EtOAc, washed sequentially with water and brine, and the organic phase was dried with anhydrous sodium sulfate, filtered and concentrated in vacuum. The crude product was purified by column chromatography (eluent: 100% heptane to heptane/EtOAc 9:1) and the pure product was subsequently recrystallized from heptane. Yield: 350 mg (82%). [0321] 1H NMR (400 MHz, CDCl3) δ 8.74 (br s, 1H), 7.86 (d, 1H, J = 8.0 Hz), 7.52 (d, 1H, J = 7.6 Hz), 7.34 (t, 1H, J = 2.6 Hz), 7.17 (t, 1H, J = 8.0 Hz), 6.65 (m, 1H).

References

[1] Patent: WO2007/79239, 2007, A2. Location in patent: Page/Page column 99-100

7-CYANOINDOLE Preparation Products And Raw materials

Raw materials

Preparation Products

1H-Indole-7-carboxylic acid

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View Lastest Price from 7-CYANOINDOLE manufacturers

Chemwill Asia Co.,Ltd.

Product: 7-CYANOINDOLE in stock Factory 96631-87-7
Price: US $1.00/KG
Min. Order: 1KG
Purity: TOP 3 Factory in China
Supply Ability: Top 3 largest production capacity Factory
Release date: 2019-04-03

Career Henan Chemical Co

Product: 7-CYANOINDOLE 96631-87-7
Price: US $7.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100kg
Release date: 2020-01-02

96631-87-7, 7-CYANOINDOLERelated Search:

1-BOC-5-CYANOINDOLE 4-CHLORO-1H-INDOLE-3-CARBONITRILE 5-Bromo-3-cyanoindole 5-CYANOOXINDOLE 4-METHOXY-1H-INDOLE-3-CARBONITRILE 6-CYANO-1H-INDOLE, N-BOC PROTECTED 98 1-Boc-5-Cyanoindole-2-boronic acid 1-Acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile 7-CYANOINDOLE 6-CHLORO-3-CYANOINDOLE 7-CYANOOXINDOLE 5-CYANO-1H-INDOLE-2-BORONIC ACID 5-Cyanoindole 6-CYANO-1H-INDOL-2-YLBORONIC ACID, N-BOC PROTECTED 96 6-CYANOOXINDOLE 6-Cyanoindole 2-BENZYL-5-CYANOINDOLE 5-CHLORO-3-CYANOINDOLE

7-carbonitrile

1H-Indole-7-carbonitrile 97%

7-CYANOINDOLE in stock Factory

7-CHOROINDOLE-3-CARBOXALDEHYDE

7-Cyano-1H-indole

1H-Indole-7-carbonitrile

7-Cyanoindole

7-CyanoindoL

Hydrogenated（docosanoic acid）Phosphatidylcholine

Ondansetron Impurity 13

96631-87-7

Indoles

Indoles and derivatives