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Merck
CN

58740

Isoquinoline

purum, ≥97.0% (GC)

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About This Item

Empirical Formula (Hill Notation):
C9H7N
CAS Number:
119-65-3
Molecular Weight:
129.16
EC Number:
204-341-8
UNSPSC Code:
12352100
MDL number:
MFCD00006898
Beilstein/REAXYS Number:
107549

Key Documents

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InChI

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

InChI key

AWJUIBRHMBBTKR-UHFFFAOYSA-N

SMILES string

c1ccc2cnccc2c1

grade

purum

assay

≥97.0% (GC)

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.)

storage temp.

2-8°C

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pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

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

Storage Class

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

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

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Abdol R Hajipour et al.
Bioorganic & medicinal chemistry, 19(24), 7435-7440 (2011-11-08)
The sigma-2 (σ2) receptor has been suggested to be a promising target for pharmacological interventions to curb tumor progression. Development of σ2-specific ligands, however, has been hindered by lack of understanding of molecular determinants that underlie selective ligand-σ2 interactions. Here
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)
Takashi Sugane et al.
Bioorganic & medicinal chemistry, 20(1), 34-41 (2011-12-20)
To identify novel glycine transporter 1(GlyT1) inhibitors with greater selectivity relative to GlyT2 and improved aqueous solubility, we synthesized a series of 4H-1,2,4-triazole derivatives with heteroaromatic rings at the 4-position and investigated their structure-activity relationships. Replacement of the 2-fluorophenyl group
Peter Ongoma et al.
Dalton transactions (Cambridge, England : 2003), 41(35), 10724-10730 (2012-08-01)
The nucleophilic substitution reactions of complexes [Pt{4'-(2'''-CH(3)-phenyl)-2,2':6',2''-terpyridine}Cl]CF(3)SO(3), [CH(3)PhPtCl], [Pt{4'-(2'''-CH(3)-phenyl)-6-(3''-isoquinoyl)-2,2'bipyridine}Cl]SbF(6), [CH(3)PhisoqPtCl], [Pt{2-(2'-pyridyl)-1,10-phenanthroline}Cl]Cl, [pyPhenPtCl], and [Pt(terpyridine)Cl](+), [PtCl] with a series of nucleophiles: thiourea (TU), N,N-dimethylthiourea (DMTU), N,N,N,N-tetramethylthiourea (TMTU), I(-), Br(-), and SCN(-) were studied in 0.1 M LiCF(3)SO(3) in methanol (in the
Raju Jannapu Reddy et al.
The Journal of organic chemistry, 77(24), 11101-11108 (2012-11-28)
Asymmetric total syntheses of the 1-phenethyl-1,2,3,4-tetrahydroisoquinoline alkaloids (+)-dysoxyline (1), (+)-colchiethanamine (2), and (+)-colchiethine (3) are described. In the synthetic routes, coupling of a key, enatiomerically pure 1-(sulfonylmethyl)tetrahydroisoquinoline with aromatic aldehydes, performed by using the Julia-Kocienski reaction, afforded the corresponding 1-(β-styryl)-substituted
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