Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Chloro-3-(p-tolyloxy)propan-2-one |
EINECS | N/A |
CAS No. | 27997-97-3 | Density | 1.16 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H11ClO2 | Boiling Point | 294.872 °C at 760 mmHg |
Molecular Weight | 198.64614 | Flash Point | 123.849 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Chloro-3-(4-methylphenoxy)propan-2-one; |
Article Data | 1 |
The CAS registry number of 1-Chloro-3-(p-tolyloxy)propan-2-one is 27997-97-3. This chemical's molecular formula is C10H11ClO2 and molecular weight is 198.64614. What's more, its systematic name is called 1-Chloro-3-(4-methylphenoxy)propan-2-one.
Physical properties about 1-Chloro-3-(p-tolyloxy)propan-2-one are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.388; (4)ACD/LogD (pH 7.4): 1.388; (5)ACD/BCF (pH 5.5): 6.682; (6)ACD/BCF (pH 7.4): 6.682; (7)ACD/KOC (pH 5.5): 135.552; (8)ACD/KOC (pH 7.4): 135.552; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 51.901 cm3; (15)Molar Volume: 171.229 cm3; (16)Surface Tension: 37.833 dyne/cm; (17)Density: 1.16 g/cm3; (18)Flash Point: 123.849 °C; (19)Enthalpy of Vaporization: 53.454 kJ/mol; (20)Boiling Point: 294.872 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1)OCC(=O)CCl
(2) InChI: InChI=1/C10H11ClO2/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-5H,6-7H2,1H3
(3) InChIKey: PUPIPARABFBVQX-UHFFFAOYAQ