Benzoic acid, 3-amino-, ethyl ester
- Formula: C9H11NO2
- Molecular weight: 165.1891
- IUPAC Standard InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
- IUPAC Standard InChIKey: ZMCBYSBVJIMENC-UHFFFAOYSA-N
- CAS Registry Number: 582-33-2
- 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: Benzoic acid, m-amino-, ethyl ester; m-Aminobenzoic acid, ethyl ester; m-Ethoxycarbonylaniline; Ethyl m-aminobenzoate; Ethyl 3-aminobenzoate; 3-(Ethoxycarbonyl)aniline
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 567.2 | K | N/A | Weast and Grasselli, 1989 | |
| Tboil | 567. | K | N/A | Buckingham and Donaghy, 1982 |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference |
|---|---|---|
| 446.7 | 0.017 | Aldrich Chemical Company Inc., 1990 |
| 417. | 0.007 | Buckingham and Donaghy, 1982 |
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: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC. 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. 6727 |
| Date | 1964/06/24 |
| Name(s) | ethyl 3-aminobenzoate |
| State | SOLUTION (5% CCl4 FOR 3800-1330, 5% CS2 FOR 1330-400 CM-1)) |
| Instrument | BECKMAN IR-9 (GRATING) |
| Instrument parameters | ORDER CHANGES: 670, 1200, 2000 CM-1 |
| Path length | 0.011 CM, 0.011 CM SPECTRAL CONTAMINATION DUE TO CS2 AROUND 850, 400, CCl4 AROUND 1550 CM-1 HAVE BEEN SUBTRACTED SPECTRAL FEATURE AT 1997 CM-1 IS AN ARTIFACT CAUSED BY GRATING CHANGE |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) 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 | Chuck Anderson, Aldrich Chemical Co. |
| NIST MS number | 107714 |
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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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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