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7-Chloro-1-indanone

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Name

7-Chloro-1-indanone

EINECS N/A
CAS No. 34911-25-6 Density 1.312 g/cm3
PSA 17.07000 LogP 2.46890
Solubility N/A Melting Point 98 °C
Formula C9H7ClO Boiling Point 288.2 °C at 760 mmHg
Molecular Weight 166.60 Flash Point 129.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 34911-25-6 (7-CHLORO-1-INDANONE) Hazard Symbols Xn
Synonyms

7-CHLORO-1-INDANONE;7-CHLORO-INDAN-1-ONE;7-chloro-2,3-dihydroinden-1-one;7-chloro-2,3-dihydro-1H-inden-1-one;REF DUPL: 7-Chloro-1-indanone

Article Data 11

7-Chloro-1-indanone Specification

The 1H-Inden-1-one,7-chloro-2,3-dihydro-, with the cas registry number 34911-25-6, has the IUPAC name of 7-chloro-2,3-dihydroinden-1-one. And its product categories are including Indane/Indanone and Derivatives.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.8; (6)ACD/BCF (pH 7.4): 48.8; (7)ACD/KOC (pH 5.5): 562.56; (8)ACD/KOC (pH 7.4): 562.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 43.45 cm3; (15)Molar Volume: 126.9 cm3; (16)Polarizability: 17.22 ×10-24 cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.312 g/cm3; (19)Flash Point: 129.3 °C; (20)Enthalpy of Vaporization: 52.74 kJ/mol; (21)Boiling Point: 288.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00237 mmHg at 25°C; (23)Exact Mass: 166.018543; (24)MonoIsotopic Mass: 166.018543; (25)Topological Polar Surface Area: 17.1; (26)Heavy Atom Count: 11; (27)Formal Charge: 0; (28)Complexity: 178.

When you are dealing with this chemical, you should be cautious and then take the following instructions to protect yourself. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1CC(=O)C2=C1C=CC=C2Cl
(2)InChI: InChI=1S/C9H7ClO/c10-7-3-1-2-6-4-5-8(11)9(6)7/h1-3H,4-5H2
(3)InChIKey: YNFZQNGHYQYLCF-UHFFFAOYSA-N 

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