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| CAS No.: | 937-38-2 |
|---|---|
| Name: | 1-Chloro-3-Phenylacetone |
| Molecular Structure: | |
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| Formula: | C9H9ClO |
| Molecular Weight: | 168.623 |
| Synonyms: | 1-Chloro-3-phenyl-2-propanone;1-Chloro-3-phenylacetone;3-Phenyl-1-chloro-2-propanone;Benzyl chloromethylketone;NSC 38775;1-chloro-3-phenylpropan-2-one;2-propanone, 1-chloro-3-phenyl-; |
| Density: | 1.145 g/cm3 |
| Melting Point: | 72-73 °C |
| Boiling Point: | 244.7 °C at 760 mmHg |
| Flash Point: | 119.6 °C |
| PSA: | 17.07000 |
| LogP: | 2.03700 |
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Specification
The 2-Propanone,1-chloro-3-phenyl-, with the CAS registry number 937-38-2, has the systematic name and IUPAC name of 1-chloro-3-phenylpropan-2-one. It is a kind of organics, and should be stored in the dry and cool environment. And molecular formula of the chemical is C9H9ClO.
The characteristics of 2-Propanone,1-chloro-3-phenyl- are as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 45.31 cm3; (9)Molar Volume: 147.2 cm3; (10)Polarizability: 17.96×10-24cm3; (11)Surface Tension: 38.6 dyne/cm; (12)Density: 1.145 g/cm3; (13)Flash Point: 119.6 °C; (14)Enthalpy of Vaporization: 48.18 kJ/mol; (15)Boiling Point: 244.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0299 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Cc1ccccc1)CCl
(2)InChI: InChI=1/C9H9ClO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5H,6-7H2
(3)InChIKey: NIOHSOXYJMSVOA-UHFFFAOYAQ