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Sigma-Aldrich

Isoquinoline

technical grade, 90-92%

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About This Item

Empirical Formula (Hill Notation):
C9H7N
CAS Number:
119-65-3
Molecular Weight:
129.16
Beilstein:
107549
EC Number:
204-341-8
MDL number:
MFCD00006898
UNSPSC Code:
12352100
PubChem Substance ID:
24857022
NACRES:
NA.22

grade

technical grade

Assay

90-92%

form

solid

refractive index

n20/D 1.623 (lit.)

bp

242-243 °C (lit.)

mp

26-28 °C (lit.)

density

1.099 g/mL at 25 °C (lit.)

SMILES string

c1ccc2cnccc2c1

InChI

1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H

InChI key

AWJUIBRHMBBTKR-UHFFFAOYSA-N

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General description

The intensity of fluorescence peak of isoquinoline increases with increasing pressure in polymethylmethacrylate and in polyisobutylene polymeric media.

Application

Isoquinoline (isq) has been used:
  • in the preparation of cis-[(dcbH2)2Ru(isq)2](ClO4)2 [dcbH2 = 4,4′-(CO2H)2-2,2′-bipyridine]
  • to investigate the toxicity of three two-ring and five three-ring azaarenes to the green alga Scenedesmus acuminatus and its relationship with molecular structure

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H302,H311,H315,H319,H412

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Flash Point(F)

215.6 °F - closed cup

Flash Point(C)

102 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sensitization of n-type TiO2 electrode by a novel isoquinoline ruthenium (II) polypyridyl complex.
Garcia CG, et al.
Journal of the Brazilian Chemical Society, 9(1), 13-15 (1998)
High pressure studies of isoquinoline luminescence in polymeric media.
Rollinson AM, et al.
Chemical Physics Letters, 59(3), 559-561 (1978)
Property-toxicity relationships of azaarenes to the green alga Scenedesmus acuminatus.
Vlaardingen V, et al.
Environmental Toxicology and Chemistry / Setac, 15(11), 2035-2042 (1996)
Viktoras Dryza et al.
The journal of physical chemistry. A, 116(17), 4323-4329 (2012-04-14)
Electronic spectra of the gas-phase isoquinoline(+)-Ar and quinoline(+)-Ar complexes are recorded using photodissociation spectroscopy by monitoring the Ar loss channel. The D(3)←D(0) and D(4)←D(0) band origins for isoquinoline(+)-Ar are observed at 15245 ± 15 cm(-1) and 21960 ± 15 cm(-1)
Jeremy Shonberg et al.
Journal of medicinal chemistry, 56(22), 9199-9221 (2013-10-22)
Biased agonism offers an opportunity for the medicinal chemist to discover pathway-selective ligands for GPCRs. A number of studies have suggested that biased agonism at the dopamine D2 receptor (D2R) may be advantageous for the treatment of neuropsychiatric disorders, including
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