CAS No.823-69-8,7,7-Dichlorodicyclo[4.1.0]heptane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	823-69-8
Name:	7,7-Dichlorodicyclo[4.1.0]heptane
Article Data:	3

Formula:	C₇H₁₀Cl₂
Molecular Weight:	165.062
Synonyms:	7,7-dichloronorcarane;Norcarane, 7, 7-dichloro-;7,7-Dichlorobicyclo[4.1.0]heptane;Bicyclo[4.1.0]heptane, 7,7-dichloro-;
Density:	1.25 g/cm³
Boiling Point:	208.2 °C at 760 mmHg
Flash Point:	81.8 °C
Hazard Symbols:	Xn
Risk Codes:	22-36
Safety:	26
PSA:	0.00000
LogP:	2.98030

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Specification

The 7, 7-Dichloronorcarane, with the CAS registry number 823-69-8, is also known as Norcarane, 7,7-dichloro-. This chemical's molecular formula is C₇H₁₀Cl₂ and molecular weight is 165.0603. What's more, both its IUPAC name and systematic name are the same which is called 7,7-Dichlorobicyclo[4.1.0]heptane.

Physical properties about 7, 7-Dichloronorcarane are: (1) ACD/LogP: 3.23; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.234; (4) ACD/LogD (pH 7.4): 3.234; (5) ACD/BCF (pH 5.5): 168.901; (6) ACD/BCF (pH 7.4): 168.901; (7) ACD/KOC (pH 5.5): 1368.192; (8) ACD/KOC (pH 7.4): 1368.192; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 0 Å²; (13) Index of Refraction: 1.52; (14) Molar Refractivity: 39.998 cm³; (15) Molar Volume: 131.641 cm³; (16) Surface Tension: 35.504 dyne/cm; (17) Density: 1.254 g/cm³; (18) Flash Point: 81.752 °C; (19) Enthalpy of Vaporization: 42.629 kJ/mol; (20) Boiling Point: 208.163 °C at 760 mmHg; (21) Vapour Pressure: 0.312 mmHg at 25 °C.

Preparation of 7, 7-Dichloronorcarane: this chemical can be prepared by Cyclohexene with Trichloromethane.

This reaction needs reagent t-BuOK and solvent Hexane. The reaction time is 2 hours.

Uses of 7, 7-Dichloronorcarane: it is used to produce other chemicals. For example, it is used to produce 7,7-Bis-(trimethylsilyl)norcaran.

The reaction occurs with reagent Li and solvent Tetrahydrofuran at temperature of 0-10 °C. The yield is 60 %.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CCC2C(C1)C2(Cl)Cl
(2) InChI: InChI=1/C7H10Cl2/c8-7(9)5-3-1-2-4-6(5)7/h5-6H,1-4H2
(3) InChIKey: MBPSCGRETWPLSI-UHFFFAOYAR