5H-Benzocyclohepten-5-one,1-chloro-6,7,8,9-tetrahydro- supplier

Name
1-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE
EINECS
CAS No. 21413-75-2
Article Data7
CAS DataBase
Density 1.198 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁ClO
Boiling Point 323.907 °C at 760 mmHg
Molecular Weight 194.661
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-6, 7, 8, 9-tetrahydro-5H-benzo[7]annulen-5-one;
PSA 17.07000
LogP 3.24910

5H-Benzocyclohepten-5-one,1-chloro-6,7,8,9-tetrahydro- Specification

The 5H-Benzocyclohepten-5-one, 1-chloro-6, 7, 8, 9-tetrahydro- has the CAS registry number of 21413-75-2. This chemical's molecular formula is C₁₁H₁₁ClO and molecular weight is 194.66. What's more, its systematic name is 2-Chloro-6, 7, 8, 9-tetrahydro-5H-benzo[7]annulen-5-one.

Physical properties about 5H-Benzocyclohepten-5-one, 1-chloro-6, 7, 8, 9-tetrahydro- are: (1)ACD/LogP: 2.94; (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): 101; (6)ACD/BCF (pH 7.4): 101; (7)ACD/KOC (pH 5.5): 944; (8)ACD/KOC (pH 7.4): 944; (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: 1.562; (14)Molar Refractivity: 52.676 cm³; (15)Molar Volume: 162.449 cm³; (16)Polarizability: 20.882×10^-24 cm³; (17)Surface Tension: 42.58 dyne/cm; (18)Density: 1.198 g/cm³; (19)Flash Point: 162.183 °C; (20)Enthalpy of Vaporization: 56.588 kJ/mol; (21)Boiling Point: 323.907 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: c1cc2c(cc1Cl)CCCCC2=O
(2) InChI: InChI=1/C11H11ClO/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7H,1-4H2
(3) InChIKey: IJVMAZHBJAEZEB-UHFFFAOYAX

Product Name

1-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE

5H-Benzocyclohepten-5-one,1-chloro-6,7,8,9-tetrahydro- Specification

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