1-Propanone, 3-chloro-1-phenyl-
- Formula: C9H9ClO
- Molecular weight: 168.620
- IUPAC Standard InChI: InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
- IUPAC Standard InChIKey: KTJRGPZVSKWRTJ-UHFFFAOYSA-N
- CAS Registry Number: 936-59-4
- 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: β-Chloropropiophenone; ω-Chloropropiophenone; β-Chloroethyl phenyl ketone; Propiophenone, 3-chloro-; 2-Chloroethyl phenyl ketone; 3-Chloropropanophenone; 3-Chloropropiophenone; 3-Chloro-1-phenyl-1-propanone; NSC 227202; NSC 37238; 1-Phenyl-3-chloro-1-propanone
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Phase change data
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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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference |
|---|---|---|
| 387.2 | 0.005 | Aldrich Chemical Company Inc., 1990 |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | DOW CHEMICAL COMPANY |
| Source reference | COBLENTZ NO. 4052 |
| Date | Not specified, most likely prior to 1970 |
| Name(s) | 3-chloro-1-phenyl-1-propanone |
| State | SOLUTION (10% IN CCl4 FOR 5000-1350 CM-1, 10% IN CS2 FOR 1350-625 CM-1) |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Path length | 0.01 CM, 0.01 CM SPECTRAL CONTAMINATION DUE TO CCl4 AROUND 1550, AND CS2 AROUND 855 CM-1 |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-7294 |
| NIST MS number | 237927 |
Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1378. | Zenkevich and Makarov, 2007 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 240. C |
| Capillary | OV-101 | 1390. | Zenkevich and Makarov, 2007 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 240. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Zenkevich and Makarov, 2007
Zenkevich, I.G.; Makarov, A.A.,
Identification of Alkylarene Chloromethylation Products Using Gas-Chromatographic Retention Indices,
Russian Journal of General Chemistry, 2007, 77, 4, 611-619, https://doi.org/10.1134/S1070363207040196
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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