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| CAS No.: | 112270-06-1 |
|---|---|
| Name: | ETHYL 2-CHLORO-6-HYDROXYBENZOATE |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C9H9ClO3 |
| Molecular Weight: | 200.622 |
| Synonyms: | Ethyl 6-chloro-2-hydroxybenzoate; |
| Density: | 1.301 g/cm3 |
| Boiling Point: | 267.195 °C at 760 mmHg |
| Flash Point: | 115.396 °C |
| PSA: | 46.53000 |
| LogP: | 2.22230 |
- 1122-70-9Pyridine,2-ethenyl-6-methyl-
- 1122-71-02-Pyridinemethanol,6-methyl-
- 1122-72-12-Pyridinecarboxaldehyde,6-methyl-
- 1122-73-21,3,5-Triazin-2-amine,4-methoxy-
- 1122-74-3Pyrimidine,4-iodo-2-(methylthio)-
- 112275-50-01H-1,4-Diazepine-1-carboxylicacid, hexahydro-, 1,1-dimethylethyl ester
- 112-27-6Ethanol,2,2'-[1,2-ethanediylbis(oxy)]bis-
- 112279-02-4Ridostin
- 112279-56-8Ethanone,1-(4-amino-2-fluorophenyl)-
- 112279-60-4Benzenamine,4-bromo-2,5-difluoro-
- Total:23 Page 1 of 1 1
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Specification
The Benzoic acid, 2-chloro-6-hydroxy-, ethyl ester, with the CAS registry number of 112270-06-1, is also known as Ethyl 6-chloro-2-hydroxybenzoate. This chemical's molecular formula is C9H9ClO3 and molecular weight is 200.61896. What's more, its systematic name is Ethyl 2-chloro-6-hydroxybenzoate.
Physical properties about Benzoic acid, 2-chloro-6-hydroxy-, ethyl ester are: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 215; (6)ACD/BCF (pH 7.4): 210; (7)ACD/KOC (pH 5.5): 1628; (8)ACD/KOC (pH 7.4): 1585; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 49.436 cm3; (15)Molar Volume: 154.214 cm3; (16)Surface Tension: 46.54 dyne/cm; (17)Density: 1.301 g/cm3; (18)Flash Point: 115.396 °C; (19)Enthalpy of Vaporization: 52.557 kJ/mol; (20)Boiling Point: 267.195 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1c(O)cccc1Cl
(2) InChI: InChI=1/C9H9ClO3/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,11H,2H2,1H3
(3) InChIKey: ZTTKKVNUDLGBCI-UHFFFAOYAJ