CAS Number: 1198-30-7
isoquinoline-1-carbonitrile
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Structure |
.gif) |
| Name: isoquinoline-1-carbonitrile |
| Synonyms: |
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| General Information |
Product Number: 1198307
CAS Registry Number:
1198-30-7
Name:
1-Isoquinolinecarbonitrile
Isoquinaldonitrile (6CI,7CI,8CI); 1-Cyanoisoquinoline; NSC 203335
Chemical Formula: C10H6N2
Exact Mass: 154.05
Molecular Weight: 154.17
m/z: 154.05 (100.0%), 155.06 (10.9%)
Elemental Analysis: C, 77.91; H, 3.92; N, 18.17
InChI: InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H
InChIKey: HJHXYSBRTVFEDD-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C=CN=C2C#N
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Thermal Properties |
Value |
Condition |
Note |
|
Melting Point |
207-208 °C |
Solv: ethanol (64-17-5); chloroform (67-66-3) |
(5)IC |
|
Melting Point |
91 °C |
|
(4)IC |
|
Melting Point |
90-91 °C |
Solv: heptane (142-82-5) |
(6)IC |
|
Melting Point |
90.0-90.5 °C |
|
(9)CAS |
|
Melting Point |
90 °C |
Solv: hexane (110-54-3) |
(10)IC |
|
Melting Point |
89-89.5 °C |
|
(11)CAS |
|
Melting Point |
89-89.5 °C |
|
(12)IC |
|
Melting Point |
88 °C |
|
(13)IC |
|
Melting Point |
87-89 °C |
|
(14)IC |
|
Melting Point |
87-88 °C |
Solv: hexane (110-54-3) |
(7)IC |
|
Melting Point |
87 °C |
Solv: cyclohexane (110-82-7) |
(15)IC |
|
Melting Point |
86-88 °C |
|
(16)CAS |
|
Melting Point |
86-87 °C |
|
(17)IC |
|
Melting Point |
85-87 °C |
|
(18)IC |
|
Melting Point |
85-87 °C |
Solv: ligroine (8032-32-4) |
(19)IC |
|
Melting Point |
See full text |
|
(20)CAS |
|
Specification |
98%
|
| References |
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(1) Werra, W.; Magnetic Resonance in Chemistry 1992, V30(7), P640-644 CAPLUS
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(2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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(3) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
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(4) Hung, Tran V.; Australian Journal of Chemistry 1981, V34(1), P151-62 CAPLUS
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(5) Saito, Hirohisa; Yakugaku Zasshi 1979, V99(1), P23-9 CAPLUS
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(6) Katritzky, Alan R.; Journal of Chemical Research, Synopses 1981, (3), P70-1 CAPLUS
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(7) Sliwa, Henri; Journal of Heterocyclic Chemistry 1990, V27(3), P627-30 CAPLUS
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(8) Smith, Philip A.; AIHA Journal 2002, V63(3), P284-292 CAPLUS
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(9) Davis, Paul; Journal of Organic Chemistry 1961, V26, P815-17 CAPLUS
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(10) Vorbrueggen, Helmut; Synthesis 1983, (4), P316-19 CAPLUS
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(11) Padbury, John J.; Journal of the American Chemical Society 1945, V67, P1268-70 CAPLUS
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(12) Iwao, Masatomo; Journal of Heterocyclic Chemistry 1979, V16(4), P689-98 CAPLUS
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(13) Reimlinger, Hans; Chemische Berichte 1975, V108(12), P3771-9 CAPLUS
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(14) Filer, Crist N.; Journal of Organic Chemistry 1979, V44(2), P285-7 CAPLUS
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(15) Huisgen, Rolf; Justus Liebigs Annalen der Chemie 1977, (3), P506-27 CAPLUS
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(16) Wefer, John M.; Journal of Organic Chemistry 1967, V32(6), P1999-2000 CAPLUS
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(17) Veeraraghavan, Seshadri; Journal of Heterocyclic Chemistry 1981, V18(5), P909-15 CAPLUS
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(18) Elman, Bjorn; Tetrahedron 1986, V42(1), P223-8 CAPLUS
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(19) Hayashi, Eisaku; Yakugaku Zasshi 1977, V97(12), P1334-44 CAPLUS
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(20) Hoste, J.; Mededel. Koninkl. Vlaam. Acad. Wetenschap., Belg., Klasse Wetenschap. 1951, V13(No. 12), P3-12 CAPLUS
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(21) Reux, Bastien; Bioorganic & Medicinal Chemistry 2009, V17(13), P4441-4447 CAPLUS
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