ChemicalBook > CAS DataBase List > 3-FLUORO-5-FORMYLBENZONITRILE

3-FLUORO-5-FORMYLBENZONITRILE

Product Name: 3-FLUORO-5-FORMYLBENZONITRILE
CAS No.: 1003708-42-6
Chemical Name: 3-FLUORO-5-FORMYLBENZONITRILE
Synonyms: 3-FLUORO-5-FORMYLBENZONITRILE;Benzonitrile, 3-fluoro-5-formyl-;4-Chloro-4-(trifluoromethyl)acetophenone
CBNumber: CB7534339
Molecular Formula: C8H4FNO
Formula Weight: 149.12
MOL File: Mol file

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3-FLUORO-5-FORMYLBENZONITRILE Property

Boiling point:: 205℃
Density: 1.25
Flash point:: 77℃
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
form: solid
color: Off-white
InChI: InChI=1S/C8H4FNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,5H
InChIKey: MJDZWYNXMPFSJE-UHFFFAOYSA-N
SMILES: C(#N)C1=CC(C=O)=CC(F)=C1

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Safety

HS Code: 2926907090

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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

P260Do not breathe dust/fume/gas/mist/vapours/spray.

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

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

TRC

Product number: F532040
Product name: 3-Fluoro-5-formylbenzonitrile
Packaging: 1g
Price: $145
Updated: 2021/12/16

AK Scientific

Product number: X8502
Product name: 3-Fluoro-5-formylbenzonitrile
Packaging: 250mg
Price: $32
Updated: 2021/12/16

Matrix Scientific

Product number: 067013
Product name: 3-Fluoro-5-formylbenzonitrile
Purity: >95%
Packaging: 500mg
Price: $65
Updated: 2021/12/16

Matrix Scientific

Product number: 067013
Product name: 3-Fluoro-5-formylbenzonitrile
Purity: >95%
Packaging: 5g
Price: $250
Updated: 2021/12/16

Apolloscientific

Product number: PC200339
Product name: 3-Fluoro-5-formylbenzonitrile
Purity: 98%
Packaging: 5g
Price: $254
Updated: 2021/12/16

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3-FLUORO-5-FORMYLBENZONITRILE Chemical Properties,Usage,Production

Uses

3-Fluoro-5-formylbenzonitrile is benzaldehyde based building block used as a reactant in catalyst-free synthesis of N-β-hydroxyethyl pyrroles and indoles via a domino [3+2] cycloaddition and ring-opening aromatization process.

Application

3-FLUORO-5-FORMYLBENZONITRILE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Synthesis

3 -fluoro-5 -formylbenzonitrile : A solution of 3 -bromo-5 -fluorobenzonitrile(5.00 g, 25.0 mmol) in dry THF (25 mL) was cooled to 0 °C and 2M iPrMgCl (15.0 mL, 30.0 mmol) in THF was added dropwise over 5 minutes. The mixture was stirred at 0 °C for 15 minutes then at ambient temperature for 1 hour. The mixture was cooled to 0 °C and dry DMF (5.81 mL, 75.0 mmol) was added. The mixture was stirred for 17 hours during which time the temperature reached ambient temperature after 2 hours. The mixture was added to ice water (150 mL) and Et20 (100 mL). The biphasic mixture was stirred and treated with 6M HC1 to aqueous pH=3. The organic layer was removed and the aqueous layer extracted with Et20 (2X). The combined Et20 fractions were washed with saturated NaCl and dried over MgS04/activated carbon. The dried solution was filtered through a S1O2 plug eluting with Et20. The filtrate was concentrated to give the title compound as a yellow solid that was dried in vacuum (3.68 g, 99percent). 1H NMR (CDC13) δ 10.0 (s, 1H), 8.00 (s, 1H), 7.81-7.86 (m, 1H), 7.62-7.67 (m, 1H).

References

[1] Patent: WO2012/158413, 2012, A2. Location in patent: Page/Page column 90
[2] Patent: WO2014/78323, 2014, A1. Location in patent: Paragraph 00542
[3] Patent: WO2014/78372, 2014, A1. Location in patent: Paragraph 00375
[4] Patent: WO2014/78378, 2014, A1. Location in patent: Paragraph 00573

3-FLUORO-5-FORMYLBENZONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-FLUORO-5-FORMYLBENZONITRILE manufacturers

Career Henan Chemical Co

Product: 3-FLUORO-5-FORMYLBENZONITRILE 1003708-42-6
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 10000KGS
Release date: 2020-01-02

1003708-42-6, 3-FLUORO-5-FORMYLBENZONITRILERelated Search:

3-FLUORO-5-FORMYLBENZONITRILE

Benzonitrile, 3-fluoro-5-formyl-

4-Chloro-4-(trifluoromethyl)acetophenone

1003708-42-6