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Cas Database |
| Name |
Ethyl 4-chloromethylbenzoate |
EINECS | N/A |
| CAS No. | 1201-90-7 | Density | 1.158 g/cm3 |
| PSA | 26.30000 | LogP | 2.60210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H11ClO2 | Boiling Point | 291.316 °C at 760 mmHg |
| Molecular Weight | 198.649 | Flash Point | 142.291 °C |
| Transport Information | N/A | Appearance | white crystal powder |
| Safety | Risk Codes | R22 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
p-Toluicacid, a-chloro-, ethyl ester (7CI,8CI);Ethyl 4-(chloromethyl)benzoate;Ethyl p-chloromethylbenzoate;Ethyl a-chloro-p-toluate;NSC 124619;p-(Chloromethyl)benzoic acid ethyl ester; |
Article Data | 13 |
Ethyl 4-chloromethylbenzoate Specification
The Ethyl 4-chloromethylbenzoate, with CAS registry number of 1201-90-7, has the systematic name of ethyl 4-(chloromethyl)benzoate. And its IUPAC name is the same one. Besides this, it is also called benzoic acid, 4-(chloromethyl)-, ethyl ester.
Physical properties about this chemical are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.523; (8)Molar Refractivity: 52.42 cm3; (9)Molar Volume: 171.5 cm3; (10)Polarizability: 20.78×10-24cm3; (11)Surface Tension: 38.4 dyne/cm; (12)Enthalpy of Vaporization: 53.07 kJ/mol; (13)Vapour Pressure: 0.00196 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(C(=O)OCC)cc1
(2)InChI: InChI=1/C10H11ClO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3
(3)InChIKey: JTTXRFNOFFGPFI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H11ClO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3
(5)Std. InChIKey: JTTXRFNOFFGPFI-UHFFFAOYSA-N
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