Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 4-chlorobenzoylformate |
EINECS | N/A |
CAS No. | 34966-48-8 | Density | 1.255 g/cm3 |
PSA | 43.37000 | LogP | 2.08580 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9ClO3 | Boiling Point | 305.1 °C at 760 mmHg |
Molecular Weight | 212.633 | Flash Point | 129 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Glyoxylicacid, (p-chlorophenyl)-, ethyl ester (6CI,7CI);2-(4-Chlorophenyl)-2-oxoaceticacid ethyl ester;Ethyl (4-chlorobenzoyl)formate;Ethyl2-oxo-2-[4-chlorophenyl]acetate;Ethyl 4-chlorophenylglyoxylate;Ethylp-chlorophenylglyoxylate; |
Article Data | 49 |
The Ethyl 4-chlorobenzoylformate with cas registry number of 34966-48-8 is also known as (4-Chlorophenyl)glyoxylic acid ethyl ester with systematic name of ethyl (4-chlorophenyl)(oxo)acetate. And its IUPAC name is called ethyl 2-(4-chlorophenyl)-2-oxoacetate.
The physical properties about this chemical are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.37; (6)ACD/BCF (pH 7.4): 52.37; (7)ACD/KOC (pH 5.5): 591.74; (8)ACD/KOC (pH 7.4): 591.74; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 52.21 cm3; (14)Molar Volume: 169.4 cm3; (15)Surface Tension: 42.5 dyne/cm; (16)Density: 1.255 g/cm3; (17)Flash Point: 129 °C; (18)Enthalpy of Vaporization: 54.55 kJ/mol; (19)Boiling Point: 305.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000837 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)C(=O)OCC;
(2)InChI: InChI=1/C10H9ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3;
(3)InChIKey: BIELZWDKOJZMOG-UHFFFAOYAX