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| CAS No.: | 7335-25-3 |
|---|---|
| Name: | ETHYL 2-CHLOROBENZOATE |
| Article Data: | 88 |
| Molecular Structure: | |
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| Formula: | C9H9 Cl O2 |
| Molecular Weight: | 184.622 |
| Synonyms: | Benzoicacid, o-chloro-, ethyl ester (6CI,7CI,8CI); 2-Chlorobenzoic acid ethyl ester;Ethyl 2-chlorobenzoate; Ethyl o-chlorobenzoate |
| Density: | 1.18g/mLat 25°C(lit.) |
| Boiling Point: | 241-243°C(lit.) |
| Flash Point: | >230°F |
| Appearance: | Clear colorless to pale yellow liquid |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 2207359 |
| PSA: | 26.30000 |
| LogP: | 2.51670 |
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Chemistry
Molecular Formula: C9H9ClO2
Molar mass: 184.62 g/mol
EINECS: 230-842-6
Density: 1.185 g/cm3
Flash Point: 111.2 °C
Index of Refraction: 1.522
Boiling Point: 243.6 °C at 760 mmHg
Vapour Pressure: 0.0318 mmHg at 25°C
Appearance: Clear colorless to pale yellow liquid
Product categories of Ethyl 2-chloroacetoacetate (7335-25-3): Acids & Esters;Aromatic Esters;Benzoic acid;Chlorine Compounds;Carbonyl Compounds
Structure of Ethyl 2-chloroacetoacetate (7335-25-3):
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: Ethyl 2-chlorobenzoate
Canonical SMILES: CCOC(=O)C1=CC=CC=C1Cl
InChI: InChI=1S/C9H9ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey: RETLCWPMLJPOTP-UHFFFAOYSA-N
Uses
Ethyl 2-chloroacetoacetate (7335-25-3) can be used for pharmaceutical intermediate.
Production
Ethyl 2-chloroacetoacetate (7335-25-3) can be derived from the o-chlorobenzoic acid by esterification.
Safety Profile
Hazard Codes: Xi.gif){kind=small}
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing