Benzoic acid, 3,4-dichloro-, ethyl ester
CAS Registry Number®
28394-58-3
CAS Name
Benzoic acid, 3,4-dichloro-, ethyl esterMolecular Formula
C9H8Cl2O2Molecular Mass
219.06Cite this Page
Benzoic acid, 3,4-dichloro-, ethyl ester. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=28394-58-3 (retrieved ) (CAS RN: 28394-58-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
137-139 °C @ Press: 10 TorrMelting Point (2)
37.2-37.7 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
- (2) Ackermann, Lutz; Angewandte Chemie, International Edition, (2007), 46(10), 1627-1629, CAplus
Other Names and Identifiers
InChI
InChI=1S/C9H8Cl2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
InChIKey
InChIKey=YONQPSPHUKKUEJ-UHFFFAOYSA-N
SMILES
C(OCC)(=O)C1=CC(Cl)=C(Cl)C=C1
Canonical SMILES
O=C(OCC)C1=CC=C(Cl)C(Cl)=C1
Other Names for this Substance
- Benzoic acid, 3,4-dichloro-, ethyl ester
- Ethyl 3,4-dichlorobenzoate
- 3,4-Dichlorobenzoic acid ethyl ester
