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| CAS No.: | 34911-25-6 |
|---|---|
| Name: | 7-CHLORO-1-INDANONE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C9H7ClO |
| Molecular Weight: | 166.60 |
| 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 |
| Density: | 1.312 g/cm3 |
| Melting Point: | 98 °C |
| Boiling Point: | 288.2 °C at 760 mmHg |
| Flash Point: | 129.3 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 2.46890 |
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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