-
Name
1,1,1,3-TETRACHLORONONANE
- EINECS
- CAS No. 1070-27-5
- Article Data2
- CAS DataBase
- Density 1.192 g/cm3
- Solubility
- Melting Point
- Formula C9H16Cl4
- Boiling Point 279.3 °C at 760 mmHg
- Molecular Weight 266.038
- Flash Point 111.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,1,1,3-Tetrachlorononane;
- PSA 0.00000
- LogP 5.32450
Nonane,1,1,1,3-tetrachloro- Specification
The Nonane, 1, 1, 1, 3-tetrachloro- has CAS registry number 1070-27-5. This chemical's molecular formula is C9H16Cl4 and molecular weight is 266.04. What's more, its systematic name is 1, 1, 1, 3-Tetrachlorononane.
Physical properties about Nonane, 1, 1, 1, 3-tetrachloro- are: (1)ACD/LogP: 6.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.18; (4)ACD/LogD (pH 7.4): 6.18; (5)ACD/BCF (pH 5.5): 29316.3; (6)ACD/BCF (pH 7.4): 29316.3; (7)ACD/KOC (pH 5.5): 54845.5; (8)ACD/KOC (pH 7.4): 54845.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 63.06 cm3; (15)Molar Volume: 223 cm3; (16)Polarizability: 25×10-24 cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 111.9 °C; (20)Enthalpy of Vaporization: 49.72 kJ/mol; (21)Boiling Point: 279.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00686 mmHg at 25 °C.
Preparation of Nonane, 1, 1, 1, 3-tetrachloro-: this chemical is prepared by reaction of Oct-1-ene with Tetrachloromethane. This reaction needs catalyst Mo(CO)6 and solvent Acetonitrile. The reaction time is 24 hours with reaction temperature of 80 °C. The yield is about 85 %.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(CCCCCC)CC(Cl)(Cl)Cl
(2) InChI: InChI=1/C9H16Cl4/c1-2-3-4-5-6-8(10)7-9(11,12)13/h8H,2-7H2,1H3
(3) InChIKey: FOHFUTULBZGYCC-UHFFFAOYAK
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