Chloromethane
- Formula: CH3Cl
- Molecular weight: 50.488
- IUPAC Standard InChI: InChI=1S/CH3Cl/c1-2/h1H3
- IUPAC Standard InChIKey: NEHMKBQYUWJMIP-UHFFFAOYSA-N
- CAS Registry Number: 74-87-3
- 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: Methane, chloro-; Methyl chloride; Artic; Freon 40; Monochloromethane; CH3Cl; Chloor-methaan; Chlor-methan; Chlorure de methyle; Clorometano; Cloruro di metile; Methylchlorid; Metylu chlorek; R 40; Rcra waste number U045; UN 1063; Refrigerant R40
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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.
Gas 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. 8844 |
| Date | 1964 |
| Name(s) | chloromethane |
| State | GAS (200 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH NITROGEN) |
| Instrument | DOW KBr FOREPRISM |
| Instrument parameters | GRATING CHANGED AT 5.0, 7.5, 15.0 MICRON |
| Path length | 5 CM SPECTRAL CONTAMINATION DUE TO METHANE AROUND 1310 CM-1 |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
Vibrational and/or electronic energy levels
Go To: Top, IR Spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CH3 s-str | 2937 | E | 2967.78 M | gas | 2955 VS p | liq. | FR(2ν5) | |
| a1 | 1 | CH3 s-str | 2937 | E | 2879.28 M | gas | 2861 M | liq. | FR(2ν5) | |
| a1 | 2 | CH3 s-deform | 1355 | A | 1354.9 S | gas | 1370 VW p | liq. | ||
| a1 | 3 | CCl str | 732 | A | 732.1 S | gas | 709 VS p | liq. | ||
| e | 4 | CH3 d-str | 3039 | B | 3039.31 S | gas | 3036 M dp | liq. | FR(3ν6) | |
| e | 4 | CH3 d-str | 3039 | B | 3042.75 S | gas | 3036 M dp | liq. | FR(3ν6) | |
| e | 5 | CH3 d-deform | 1452 | A | 1452.1 M | gas | 1446 W dp | liq. | ||
| e | 6 | CH3 rock | 1017 | A | 1017.3 M | gas | 1016 W dp | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| p | Polarized |
| dp | Depolarized |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| A | 0~1 cm-1 uncertainty |
| B | 1~3 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
References
Go To: Top, IR Spectrum, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, IR Spectrum, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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