3,4-Methylenedioxybenzyl chloride
- Formula: C8H7ClO2
- Molecular weight: 170.593
- IUPAC Standard InChI: InChI=1S/C8H7ClO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5H2
- IUPAC Standard InChIKey: DWSUJONSJJTODA-UHFFFAOYSA-N
- CAS Registry Number: 20850-43-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1,3-Benzodioxole, 5-(chloromethyl)-; Piperonyl chloride; Toluene, α-chloro-3,4-(methylenedioxy)-; 4-Chloromethyl-1,2-methylenedioxybenzene; 5-(Chloromethyl)-1,3-benzodioxole; 5-chloro-1,3-benzodioxole
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Kovats' RI, non-polar column, temperature ramp
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-1 | HP-1 |
| Column length (m) | 12. | 12. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.20 | 0.20 |
| Phase thickness (μm) | 0.33 | 0.33 |
| Tstart (C) | 100. | 100. |
| Tend (C) | 310. | 310. |
| Heat rate (K/min) | 30. | 30. |
| Initial hold (min) | 3. | 3. |
| Final hold (min) | 8. | 8. |
| I | 1300. | 1300. |
| Reference | Staack and Maurer, 2004 | Staack and Maurer, 2004, 2 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Staack and Maurer, 2004
Staack, R.F.; Maurer, H.H.,
New designer drug 1-(3,4-methylenedioxybenzyl) piperazine (MDBP): studies on its metabolism and toxicological detection in rat urine using gas chromatography/mass spectrometry,
J. Mass Spectrom., 2004, 39, 3, 255-261, https://doi.org/10.1002/jms.556
. [all data]
Staack and Maurer, 2004, 2
Staack, R.F.; Maurer, H.H.,
Studies on the metabolism and the toxicological analysis of the nootropic drug fipexide in rat urine using gas chromatography-mass spectrometry,
J. Chromatogr. B, 2004, 804, 2, 337-343, https://doi.org/10.1016/j.jchromb.2004.01.035
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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