Product Number: 5396305
CAS Registry Number: 5396-30-5
Name:
Acridine, 9-chloro-1,2,3,4-tetrahydro-
9-Chloro-1,2,3,4-tetrahydroacridine; 9-Chloro-5,6,7,8-tetrahydroacridine; NSC 1235
Chemical Formula: C13H12ClN
Exact Mass: 217.07
Molecular Weight: 217.69
m/z: 217.07 (100.0%), 219.06 (32.0%), 218.07 (14.2%), 220.07 (4.5%)
Elemental Analysis: C, 71.72; H, 5.56; Cl, 16.29; N, 6.43
InChI: InChI=1S/C13H12ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2
InChIKey: IYPJWKLHPNECFJ-UHFFFAOYSA-N
Canonical SMILES : C1CCC2=NC3=CC=CC=C3C(=C2C1)Cl
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Thermal Properties |
Value |
Condition |
Note |
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Boiling Point |
220 °C |
Press: 20 Torr |
(1)CAS |
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Melting Point |
135-138 °C |
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(10)CAS |
|
Melting Point |
94.5-95.5 °C |
|
(1)CAS |
|
Melting Point |
69-70 °C |
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(11)CAS |
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Melting Point |
68-70 °C |
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(12)CAS |
|
Melting Point |
68-69 °C |
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(13)IC |
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(1) Petrow, Vladimir A.; Journal of the Chemical Society 1942, P693-6 CAPLUS
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(2) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(3) Ronco, Cyril; European Journal of Organic Chemistry 2011, (2), P302-310, S302/1-S302/38 CAPLUS
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(4) Elsinghorst, Paul W.; Journal of Medicinal Chemistry 2006, V49(25), P7540-7544 CAPLUS
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(5) 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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(6) da Silva, Daniel; Synthesis 2010, (16), P2725-2730 CAPLUS
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(7) Szymanski, Pawel; European Journal of Medicinal Chemistry 2011, V46(8), P3250-3257 CAPLUS
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(8) Michalson, Eric T.; Heterocycles 1990, V30(1, Spec. Issue), P415-25 CAPLUS
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(9) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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(10) Tripathi, R. P.; Bioorganic & Medicinal Chemistry Letters 2006, V16(19), P5144-5147 CAPLUS
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(11) Tang, Huang; European Journal of Medicinal Chemistry 2011, V46(10), P4970-4979 CAPLUS
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(12) Wu, Li-Ju; Journal of Medicinal Chemistry 2002, V45(11), P2277-2282 CAPLUS
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(13) Kholodov, L. E.; Khimiko-Farmatsevticheskii Zhurnal 1975, V9(2), P19-24 CAPLUS
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(14) Sargent, Lewis J.; Journal of Organic Chemistry 1946, V11, P359-62 CAPLUS
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