Ethanone,2-chloro-1-[4-(1-methylethyl)phenyl]- supplier

Name
2-chloro-4-isopropylacetophenone
EINECS
CAS No. 21886-60-2
Article Data5
CAS DataBase
Density 1.078 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃ClO
Boiling Point 297.1 °C at 760 mmHg
Molecular Weight 196.677
Flash Point 159.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Acetophenone,2-chloro-4'-isopropyl- (8CI);2-Chloro-1-(4-isopropylphenyl)ethanone;2-Chloro-1-[4-(methylethyl)phenyl]ethan-1-one;2-Chloro-1-[4-(1-methylethyl)phenyl]ethanone;2-Chloro-1-(4-propan-2-ylphenyl)ethanone;
PSA 17.07000
LogP 3.23150

Ethanone,2-chloro-1-[4-(1-methylethyl)phenyl]- Specification

The Ethanone,2-chloro-1-[4-(1-methylethyl)phenyl]-, with the CAS registry number 21886-60-2, is also known as 2-Chloro-1-[4-(methylethyl)phenyl]ethan-1-one. This chemical's molecular formula is C₁₁H₁₃ClO and molecular weight is 196.68. What's more, its IUPAC name is 2-chloro-1-(4-propan-2-ylphenyl)ethanone.

Physical properties of Ethanone,2-chloro-1-[4-(1-methylethyl)phenyl]- are: (1)ACD/LogP: 3.19; (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: 1.518; (8)Molar Refractivity: 55.31 cm³; (9)Molar Volume: 182.4 cm³; (10)Polarizability: 21.92×10^-24cm³; (11)Surface Tension: 35.7 dyne/cm; (12)Density: 1.078 g/cm³; (13)Flash Point: 159.5 °C; (14)Enthalpy of Vaporization: 53.7 kJ/mol; (15)Boiling Point: 297.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00137 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=CC=C(C=C1)C(=O)CCl
(2)InChI: InChI=1S/C11H13ClO/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h3-6,8H,7H2,1-2H3
(3)InChIKey: PIXDFPQCRLECPL-UHFFFAOYSA-N

Product Name

2-chloro-4-isopropylacetophenone

Ethanone,2-chloro-1-[4-(1-methylethyl)phenyl]- Specification

Related Products

Hot Products