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Name |
Benzeneacetaldehyde, a-chloro- |
EINECS | N/A |
CAS No. | 4638-79-3 | Density | 1.168 g/cm3 |
PSA | 17.07000 | LogP | 2.10810 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H8ClO | Boiling Point | 244.5 °C at 760 mmHg |
Molecular Weight | 154.596 | Flash Point | 104.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetaldehyde,chlorophenyl- (6CI,7CI,8CI);2-Chloro-2-phenylethanal;Chlorophenylacetaldehyde;a-Chloro-a-phenylacetaldehyde;a-Chlorophenylacetaldehyde;2-Chloro-1-phenylethanonato;2-Chloroacetophenone;a-Chloroacetophenone;ethanone, 2-chloro-1-phenyl-; |
Article Data | 17 |
The Benzeneacetaldehyde, a-chloro-, with the CAS registry number 4638-79-3, has the systematic name of 2-chloro-1-phenylethanone. It is also called 2-Chloro-1-phenylethanonato. And the molecular formula of this chemical is C7H8ClO.
The physical properties of Benzeneacetaldehyde, a-chloro- are as following: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.93; (6)ACD/BCF (pH 7.4): 14.93; (7)ACD/KOC (pH 5.5): 240.95; (8)ACD/KOC (pH 7.4): 240.95; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 41.12 cm3; (15)Molar Volume: 132.3 cm3; (16)Polarizability: 16.3×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 104.8 °C; (20)Enthalpy of Vaporization: 48.16 kJ/mol; (21)Boiling Point: 244.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0303 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)CCl
(2)InChI: InChI=1/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey: IMACFCSSMIZSPP-UHFFFAOYAN