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5-CYANO-2-FLUOROBENZALDEHYDE

5-CYANO-2-FLUOROBENZALDEHYDE structure

CAS No:
146137-79-3
Formula:
C8H4FNO
Chemical Name:
5-CYANO-2-FLUOROBENZALDEHYDE
Synonyms:
5-CYANO-2-FLUOROBENZALDEHYDE;4-FLUORO-3-FORMYL-BENZONITRILE;Benzonitrile, 4-fluoro-3-formyl- (9CI);3-Cyano-6-fluorobenzaldehyde;Benzonitrile, 4-fluoro-3-forMyl-
Categories:
Organic Chemistry > Organic Fluorine Compound

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5-CYANO-2-FLUOROBENZALDEHYDE Basic Attributes

Molecular Weight：

149.12

Exact Mass：

149.027695

DSSTox ID：

DTXSID60447957

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

1.2

Density：

1.25±0.1 g/cm3(Predicted)

Boiling Point：

216.5±20.0 °C(Predicted)

Flash Point：

84.7±21.8 °C

Refractive Index：

1.527

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-CYANO-2-FLUOROBENZALDEHYDE Use and Manufacturing

A mixture of 74 (1.82 g, 9 mmol) and copper (I) cyanide (1.4 g, 15.7 mmol) in DMF (14.0 mL) was stirred at reflux overnight. After completion, the reaction mixture was cooled to rt and poured into a solution of water (10 mL) and NHAdd 50g of intermediate 1-1 to a 1L three-necked flask.22.6 g of intermediate 5-1, 29.3g potassium carbonate, 30g 4A molecular sieve, 500ml acetonitrile, The temperature was raised to 80 ° C and the reaction was stirred for 10 h.After the TLC was monitored, the starting material was completely reacted and then cooled to room temperature. The reaction mixture was concentrated by filtration. The obtained crude product was dissolved in 300 ml of DCM and washed with water to neutral. The organic phase was dried over anhydrous sodium sulfate and concentrated, and the obtained crude product was obtained as a white solid. g, yield 68.2percent.

Computed Properties

Molecular Weight:149.12
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:149.027691913
Monoisotopic Mass:149.027691913
Topological Polar Surface Area:40.9
Heavy Atom Count:11
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-Cyano-2-fluorobenzaldehyde

CAS No.: 146137-79-3

Content: 99.00%

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Guide of 5-CYANO-2-FLUOROBENZALDEHYDE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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5-CYANO-2-FLUOROBENZALDEHYDE

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