Product Number: 496140
CAS Registry Number: 496-14-0
Name:
Isobenzofuran, 1,3-dihydro-
Phthalan (6CI,7CI,8CI); 1,3-Dihydroisobenzofuran; 2-Oxaindan; Dihydroisobenzofuran; Isocoumaran
Chemical Formula: C8H8O
Exact Mass: 120.06
Molecular Weight: 120.15
m/z: 120.06 (100.0%), 121.06 (8.8%)
Elemental Analysis: C, 79.97; H, 6.71; O, 13.32
InChI: InChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2
InChIKey: SFLGSKRGOWRGBR-UHFFFAOYSA-N
Canonical SMILES : C1C2=CC=CC=C2CO1
| Thermal Properties |
Value |
Condition |
Note |
| Boiling Point |
192 °C |
|
(1)CAS |
| Boiling Point |
192 °C |
Press: 760 Torr |
(2)IC |
| Boiling Point |
192 °C |
|
(3)SRC |
| Boiling Point |
191 °C |
|
(4)CAS |
| Boiling Point |
191 °C |
Press: 740 Torr |
(4)CAS |
| Boiling Point |
106 °C |
Press: 36 Torr |
(4)CAS |
| Boiling Point |
85 °C |
Press: 20 Torr |
(5)CAS |
| Boiling Point |
84-88 °C |
Press: 20 Torr |
(6)CAS |
|
- (1) Willstatter, Richard; Berichte der Deutschen Chemischen Gesellschaft 1907, V40, P959-70 CAPLUS
- (2) Meyer, Nobert; Angewandte Chemie 1978, V90(7), P553-4 CAPLUS
- (3) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (4) Entel, Jacob; Journal of the American Chemical Society 1952, V74, P441-4 CAPLUS
- (5) Weinheimer, Alfred J.; Journal of Organic Chemistry 1953, V18, P801-5 CAPLUS
- (6) Helberger, Johann H.; Justus Liebigs Annalen der Chemie 1963, V666, P75-7 CAPLUS
- (7) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
- (8) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
- (9) Adcock, William; Journal of Organic Chemistry 1976, V41(9), P1498-504 CAPLUS
- (10) Yasuda, Makoto; Organometallics 2009, V28(7), P1998-2000 CAPLUS
- (11) Jeon, Sangmi; Journal of Molecular Structure 2002, V609(1-3), P159-167 CAPLUS
- (12) Toulmin, Anita; Journal of Medicinal Chemistry 2008, V51(13), P3720-3730 CAPLUS
- (13) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
- (14) Mihara, Masatoshi; Synlett 2002, (9), P1526-1528 CAPLUS
- (15) Mandzhgaladze, R. N.; Gigiena Truda i Professional'nye Zabolevaniya 1974, (5), P50-1 CAPLUS
- (16) Hou, Duen-Ren; Tetrahedron Letters 2005, V46(35), P5927-5929 CAPLUS
- (17) Arp, Zane; Journal of Chemical Physics 2002, V116(15), P6648-6655 CAPLUS
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