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3230-65-7

3230-65-7 Structure

3230-65-7 Structure
IdentificationBack Directory
[Name]

3,4-DIHYDROISOQUINOLINE
[CAS]

3230-65-7
[Synonyms]

AKOS 213-252
3,4-DihydroisoquinoL
4-DIHYDROISOQUINOLINE
3,4-DIHYDROISOQUINOLINE
Isoquinoline, 3,4-dihydro-
3,4-Dihydroisoquinoline ,97%
3,4-Dihydroisoquinoline >=97.5% (GC)
3,4-DIHYDROISOQUINOLINE ISO 9001:2015 REACH
[EINECS(EC#)]

221-769-0
[Molecular Formula]

C9H9N
[MDL Number]

MFCD00033714
[MOL File]

3230-65-7.mol
[Molecular Weight]

131.17
Chemical PropertiesBack Directory
[Melting point ]

251-254℃
[Boiling point ]

241.8±20.0℃ (760 Torr)
[density ]

1.05±0.1 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.6041 (589.3 nm 30℃)
[Fp ]

91.6±22.6℃
[storage temp. ]

Sealed in dry,2-8°C
[form ]

solid
[pka]

5.80±0.20(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
[InChIKey]

NKSZCPBUWGZONP-UHFFFAOYSA-N
[SMILES]

C1C2=C(C=CC=C2)CCN=1
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

22-24-36/38
[Safety Statements ]

26-36/37-45
[RIDADR ]

UN 2811 6.1 / PGII
[WGK Germany ]

3
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Dermal
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-(MORPHOLIN-4-YL-PHENYL-METHYL)-NAPHTHALEN-2-OL-->Formamide, N-(2-phenylethyl)--->Isoquinoline, 1,2,3,4-tetrahydro-2-hydroxy--->Isoquinoline,3,4-dihydro-, 2-oxide-->3-(Trifluoromethyl)benzaldehyde-->Isoquinoline-->N-Bromosuccinimide-->1,2,3,4-TETRAHYDROISOQUINOLINE
[Preparation Products]

Diazirino[3,1-a]isoquinoline, 1,3,4,8b-tetrahydro-
Hazard InformationBack Directory
[Uses]

3,4-Dihydroisoquinoline is derived from 1,2,3,4-Tetrahydroisoquinoline (T293820), which is used as a reagent in the preparation of 4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamides as antiproliferative tubulin inhibitors.
[Synthesis Reference(s)]

Tetrahedron Letters, 35, p. 6567, 1994 DOI: 10.1016/S0040-4039(00)78274-8
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-DIHYDROISOQUINOLINE(3230-65-7)1HNMR
3,4-DIHYDROISOQUINOLINE(3230-65-7)IR1
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