Product Number: 288142
CAS Registry Number: 288-14-2
Name:
Isoxazole
1,2-Oxazole; 1-Oxa-2-azacyclopentadiene; 2-Azafuran; NSC 137774
Ring Parent
Chemical Formula: C3H3NO
Exact Mass: 69.02
Molecular Weight: 69.06
m/z: 69.02 (100.0%), 70.02 (3.6%)
Elemental Analysis: C, 52.17; H, 4.38; N, 20.28; O, 23.17
InChI: InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H
InChIKey: CTAPFRYPJLPFDF-UHFFFAOYSA-N
Canonical SMILES : C1=CON=C1
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Thermal Properties |
Value |
Condition |
Note |
|
Boiling Point |
95 °C |
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(3)CAS |
|
Boiling Point |
95 °C |
|
(4)CAS |
|
Boiling Point |
95 °C |
|
(5)SRC |
|
Boiling Point |
94.8 °C |
Press: 760 Torr |
(6)CAS |
|
Boiling Point |
94-95 °C |
Press: 726 Torr |
(7)CAS |
|
Boiling Point |
94-95 °C |
Press: 728 Torr |
(7)CAS |
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(5) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
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(11) 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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(12) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(13) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
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(14) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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(15) Gainer, James; Organic Magnetic Resonance 1976, V8(4), P226-7 CAPLUS
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(16) Audit, M.; Magnetic Resonance in Chemistry 1985, V23(1), P33-40 CAPLUS
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(19) Davico, Gustavo E.; Journal of Physical Organic Chemistry 2005, V18(5), P434-440 CAPLUS
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(21) Dampc, Marcin; Chemical Physics 2010, V367(2-3), P75-79 CAPLUS
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(22) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
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(23) Nunes, Claudio M.; Journal of the American Chemical Society 2011, V133(46), P18911-18923 CAPLUS
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(24) Hegelund, F.; Journal of Molecular Spectroscopy 2005, V229(2), P244-256 CAPLUS
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(25) Palmer, M. H.; Molecular Physics 2004, V102(14-15), P1569-1581 CAPLUS
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(26) Sadlej-Sosnowska, Nina; Journal of Physical Organic Chemistry 2004, V17(4), P303-311 CAPLUS
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(27) Linert, Ireneusz; Chemical Physics Letters 2010, V498(1-3), P27-31 CAPLUS
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(28) Tolstikov, G. A.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1966, V16(4), P79-85 CAPLUS
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(31) Polo, Victor; Chemistry - A European Journal 2004, V10(20), P5165-5172 CAPLUS
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(32) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
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(33) Walker, Isobel C.; Chemical Physics 2004, V297(1-3), P289-306 CAPLUS
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