1-Chloro-3-(p-tolyloxy)propan-2-one supplier

Name
1-Chloro-3-(p-tolyloxy)propan-2-one
EINECS
CAS No. 27997-97-3
Article Data1
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁ClO₂
Boiling Point 294.872 °C at 760 mmHg
Molecular Weight 198.64614
Flash Point 123.849 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Chloro-3-(4-methylphenoxy)propan-2-one;
PSA
LogP

1-Chloro-3-(p-tolyloxy)propan-2-one Specification

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

Product Name

1-Chloro-3-(p-tolyloxy)propan-2-one

1-Chloro-3-(p-tolyloxy)propan-2-one Specification

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