CAS No.41908-12-7,3'-CHLOROMETHYLACETOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41908-12-7
Name:	3'-CHLOROMETHYLACETOPHENONE
Article Data:	2

Formula:	C₉H₉ClO
Molecular Weight:	168.623
Synonyms:	Acetophenone,3'-(chloromethyl)- (6CI);3'-(Chloromethyl)acetophenone;
Density:	1.134 g/cm³
Boiling Point:	276.219 °C at 760 mmHg
Flash Point:	132.052 °C
PSA:	17.07000
LogP:	2.62800

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Specification

The Ethanone, 1-[3-(chloromethyl)phenyl]-, with the CAS registry number of 41908-12-7, is also known as 3'-(Chloromethyl)acetophenone. This chemical's molecular formula is C₉H₉ClO and molecular weight is 168.62. What's more, its systematic name is called 1-[3-(Chloromethyl)phenyl]ethanone.

Physical properties about Ethanone, 1-[3-(chloromethyl)phenyl]- are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 268; (8)ACD/KOC (pH 7.4): 268; (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: 1.532; (14)Molar Refractivity: 46.046 cm³; (15)Molar Volume: 148.659 cm³; (16)Surface Tension: 37.433 dyne/cm; (17)Density: 1.134 g/cm³; (18)Flash Point: 132.052 °C; (19)Enthalpy of Vaporization: 51.471 kJ/mol; (20)Boiling Point: 276.219 °C at 760 mmHg; (21)Vapour Pressure: 0.005 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1cc(ccc1)C(C)=O
(2) InChI: InChI=1/C9H9ClO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3
(3) InChIKey: COWCOTXRROPSNR-UHFFFAOYAC