Product Number: 5392109
CAS Registry Number: 5392-10-9
Name:
Benzaldehyde, 2-bromo-4,5-dimethoxy-
Veratraldehyde, 6-bromo- (8CI); 2-Bromo-4,5-dimethoxybenzaldehyde; 3,4-Dimethoxy-6-bromobenzaldehyde; 6-Bromo-3,4-dimethoxybenzaldehyde; 6-Bromoveratral; 6-Bromoveratraldehyde; NSC 3254
Chemical Formula: C9H9BrO3
Exact Mass: 243.97
Molecular Weight: 245.07
m/z: 243.97 (100.0%), 245.97 (97.3%), 244.98 (10.0%), 246.97 (9.5%), 245.98 (1.1%), 247.98 (1.0%)
Elemental Analysis: C, 44.11; H, 3.70; Br, 32.60; O, 19.59
InChI: InChI=1S/C9H9BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3
InChIKey: UQQROBHFUDBOOK-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C(C(=C1)C=O)Br)OC
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Thermal Properties |
Value |
Condition |
Note |
|
Melting Point |
154-155 °C |
Solv: methanol (67-56-1); water (7732-18-5) |
(7)CAS |
|
Melting Point |
151-152 °C |
|
(10)CAS |
|
Melting Point |
149-150 °C |
Solv: ethanol (64-17-5) |
(11)IC |
|
Melting Point |
148-150 °C |
|
(12)CAS |
|
Melting Point |
148-150 °C |
|
(13)IC |
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(1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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(2) Chandrasekhar, S.; Tetrahedron 2006, V62(51), P12098-12107 CAPLUS
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(3) Appukkuttan, Prasad; Organic Letters 2005, V7(13), P2723-2726 CAPLUS
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(4) Akagawa, Kengo; Synlett 2011, (6), P817-820 CAPLUS
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(5) Gonzalez-Rodriguez, Carlos; Angewandte Chemie, International Edition 2011, V50(22), P5134-5138 CAPLUS
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(6) 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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(7) Moorthy, Jarugu Narasimha; Journal of Organic Chemistry 2007, V72(25), P9786-9789 CAPLUS
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(8) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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(9) 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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(15) Camacho-Davila, Alejandro; Journal of Organic Chemistry 2006, V71(17), P6682-6685 CAPLUS
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(16) Wittmer, Franklin B.; Journal of Organic Chemistry 1945, V10, P527-32 CAPLUS
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(17) Olivera, Roberto; Journal of Organic Chemistry 2000, V65(20), P6398-6411 CAPLUS
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(20) Flanagan, Stuart R.; Tetrahedron 2002, V58(30), P5989-6001 CAPLUS
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