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448193-94-0

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Basic Information
CAS No.: 448193-94-0
Name: 5,7-Dichloro-2,3-dihydroinden-1-one
Article Data: 5
Molecular Structure:
Molecular Structure of 448193-94-0 (5,7-Dichloro-2,3-dihydroinden-1-one)
Formula: C9H6Cl2O
Molecular Weight: 201.0493
Synonyms: 5, 7-Dichloro-2, 3-dihydro-1H-inden-1-one;
Density: 1.447 g/cm3
Melting Point: 102-106 °C
Boiling Point: 340.253 °C at 760 mmHg
Flash Point: 143.559 °C
Solubility: Slightly soluble in water.
Hazard Symbols: HarmfulXn
Risk Codes: 22-36-52/53
Safety: 26-61
PSA: 17.07000
LogP: 3.12230
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Specification

The 5, 7-Dichloro-2, 3-dihydroinden-1-one, with the CAS registry number of 448193-94-0, is also known as 1H-Inden-1-one, 5, 7-dichloro-2, 3-dihydro-. This chemical's molecular formula is C9H6Cl2O and molecular weight is 201.0493. What's more, its systematic name is called 5, 7-Dichloro-2, 3-dihydro-1H-inden-1-one.

Physical properties about 5, 7-Dichloro-2, 3-dihydroinden-1-one are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 165; (6)ACD/BCF (pH 7.4): 165; (7)ACD/KOC (pH 5.5): 1348; (8)ACD/KOC (pH 7.4): 1348; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 48.348 cm3; (15)Molar Volume: 138.923 cm3; (16)Surface Tension: 51.39 dyne/cm; (17)Density: 1.447 g/cm3; (18)Flash Point: 143.559 °C; (19)Enthalpy of Vaporization: 58.379 kJ/mol; (20)Boiling Point: 340.253 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes. In addition, this chemical is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can not release to the environment.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1CCC(=O)c1c(Cl)c2
(2) InChI: InChI=1/C9H6Cl2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2
(3) InChIKey: TWNXYJNWNZZECV-UHFFFAOYAS