ChemicalBook > CAS DataBase List > ISOQUINOLINE-5-CARBALDEHYDE

ISOQUINOLINE-5-CARBALDEHYDE

Product Name: ISOQUINOLINE-5-CARBALDEHYDE
CAS No.: 80278-67-7
Chemical Name: ISOQUINOLINE-5-CARBALDEHYDE
Synonyms: CHEMBRDG-BB 4301909;RARECHEM AK ML 0044;5-Formyl isoquinoline;5-ISOQUINOLINECARBALDEHYDE;ISOQUINOLINE-5-CARBALDEHYDE;5-isoquinolinecarboxaldehyde;ISOQUINOLINE-5-CARBOXALDEHYDE;Isoquinoline-5-carbaldehyde ,98%;Isoquinoline-5-carboxaldehyde,97%;Isoquinoline-5-carboxaldehyde 96%
CBNumber: CB9333444
Molecular Formula: C10H7NO
Formula Weight: 157.17
MOL File: 80278-67-7.mol

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ISOQUINOLINE-5-CARBALDEHYDE Property

Melting point:: 116-120 °C
Boiling point:: 331.7±15.0 °C(Predicted)
Density: 1.223±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 4.53±0.13(Predicted)
color: White to Light yellow
Sensitive: Air Sensitive
BRN: 112875
InChI: InChI=1S/C10H7NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-7H
InChIKey: ILRSABOCKMOFGW-UHFFFAOYSA-N
SMILES: C1C2=C(C(C=O)=CC=C2)C=CN=1
CAS DataBase Reference: 80278-67-7(CAS DataBase Reference)

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Safety

Hazard Codes: Xn
Risk Statements: 36/37/38-36-22
Safety Statements: 26-36
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 29334900

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H319Causes serious eye irritation

Precautionary statements

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

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 675180
Product name: Isoquinoline-5-carboxaldehyde
Purity: 96%
Packaging: 1g
Price: $90.6
Updated: 2023/06/20

TCI Chemical

Product number: I0942
Product name: Isoquinoline-5-carboxaldehyde
Purity: >98.0%(GC)
Packaging: 1g
Price: $155
Updated: 2025/07/31

TCI Chemical

Product number: I0942
Product name: Isoquinoline-5-carboxaldehyde
Purity: >98.0%(GC)
Packaging: 5g
Price: $618
Updated: 2025/07/31

TRC

Product number: I809018
Product name: Isoquinoline-5-carbaldehyde
Packaging: 100mg
Price: $75
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H15-1-J5
Product name: Isoquinoline-5-carboxaldehyde
Packaging: 1g
Price: $76
Updated: 2021/12/16

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ISOQUINOLINE-5-CARBALDEHYDE Chemical Properties,Usage,Production

Chemical Properties

Yellow to light brown powder

Uses

Direct conversion of heteroaryl-carboxaldehydes to acetonitriles by treatment with cyanoethylphosphonate followed by samarium(II) iodide reduction.

Synthesis

34784-04-8

68-12-2

80278-67-7

To a solvent mixture of ether (80 mL) and tetrahydrofuran (80 mL), n-butyllithium (19.3 mL, 2.5 M hexane solution, 48 mmol) was slowly added dropwise at -78 °C. Subsequently, a solution of 5-bromoisoquinoline (5.0 g, 24 mmol) in tetrahydrofuran (10 mL) was added dropwise. The reaction mixture was stirred at -78 °C and under argon protection for 30 min. Referring to the method of Pearson et al. in Journal of Heterocyclic Chemistry, Vol. 6, No. 2, pp. 243-245 (1969), a tetrahydrofuran (10 mL) solution of N,N-dimethylformamide (3.30 g, 45 mmol) was rapidly added to the lithium isoquinolinium solution after it was cooled to -78°C. The mixture was continued to be stirred at -78 °C for 15 minutes. Subsequently, ethanol (20 mL) and saturated ammonium chloride solution were added. The resulting suspension was slowly warmed to room temperature. The organic and ether extracted layers were combined and dried with anhydrous sodium sulfate. Purification by silica gel column chromatography (SiO2-H, hexane solution of 50% ethyl acetate) and ethanol recrystallization afforded isoquinoline-5-carbaldehyde (2.4 g, 15 mmol, 64% yield) as a light yellow solid with a melting point of 114-116 °C.1H NMR (DMSO-d6) δ 10.40 (s, 1H), 9.44 (s, 1H), 8.85 (d 1H, J = 6.0 Hz), 8.69 (d, 1H, J = 6.0 Hz), 8.45 (m, 2H), 7.90 (t, 1H, J = 7.2 Hz); 13C NMR (DMSO-d6) δ 194.23, 153.5, 146.2, 140.2, 135.2, 132.6, 130.2, 128.6, 127.5, 117.2. Calculated elemental values (C10H7NO-0.05H2O): C, 75.99; H, 4.53; N, 8.86. Measured values: C, 75.98; H, 4.66; N, 8.68.

References

[1] Journal of Medicinal Chemistry, 2002, vol. 45, # 17, p. 3660 - 3668
[2] Patent: US2007/155720, 2007, A1. Location in patent: Page/Page column 24

ISOQUINOLINE-5-CARBALDEHYDE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from ISOQUINOLINE-5-CARBALDEHYDE manufacturers

Career Henan Chemical Co

Product: ISOQUINOLINE-5-CARBALDEHYDE 80278-67-7
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 200kg
Release date: 2019-12-25

80278-67-7, ISOQUINOLINE-5-CARBALDEHYDERelated Search:

Isoquinoline-3-carbaldehyde ISOQUINOLINE-5-CARBOXYLIC ACID ISOQUINOLINE-1-CARBALDEHYDE ISOQUINOLINE-8-CARBALDEHYDE ISOQUINOLINE-4-CARBALDEHYDE 1-ISOQUINOLINEMETHANOL 6-Isoquinolinecarboxaldehyde (9CI) 6-Isoquinolinyl-boronic acid Isoquinoline-3-carboxylic acid 8-isoquinolinyl-boronic acid C-ISOQUINOLIN-4-YL-METHYLAMINE 7-Isoquinolinecarboxaldehyde (6CI,9CI) ISOQUINOLINE N-OXIDE 8-Isoquinolinecarbonitrile(9CI) ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER ETHYL ISOQUINOLINE-3-CARBOXYLATE p-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl]benzenesulphonamide 7-isoquinolinecarboxylic acid

5-Formyl isoquinoline

RARECHEM AK ML 0044

CHEMBRDG-BB 4301909

ISOQUINOLINE-5-CARBOXALDEHYDE

ISOQUINOLINE-5-CARBALDEHYDE

Isoquinoline-5-carboxaldehyde,97%

5-Isoquinolinecarboxaldehyde (6CI,9CI)

5-isoquinolinecarboxaldehyde

5-Formylisoquinoline, 5-Formyl-2-azanaphthalene

Isoquinoline-5-carbaldehyde ,98%

isoquinoline-5-carbaldehyde(SALTDATA: FREE)

5-ISOQUINOLINECARBALDEHYDE

Isoquinoline-5-carboxaldehyde 96%

Isoquinoline-5-carboxaldehyde &gt

ISOQUINOLINE-5-CARBALDEHYDE ISO 9001：2015 REACH

80278-67-7

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