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| CAS No.: | 98577-44-7 |
|---|---|
| Name: | 1,1-Dibromo-2,2-bis(chloromethyl)cyclopropane |
| Article Data: | 15 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C5H6Br2Cl2 |
| Molecular Weight: | 296.817 |
| Synonyms: | 1,1-Dibromo-2,2-bis(chloromethyl)cyclopropane; |
| EINECS: | 627-508-0 |
| Density: | 2.065 g/cm3 |
| Melting Point: | 48-50 °C(lit.) |
| Boiling Point: | 277.1 °C at 760 mmHg |
| Flash Point: | 134.5 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 3.34020 |
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Specification
The Cyclopropane,1,1-dibromo-2,2-bis(chloromethyl)-, with the CAS registry number 98577-44-7, has the systematic name of 1,1-dibromo-2,2-bis(chloromethyl)cyclopropane. It belongs to the following product categories: Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. And the molecular formula of the chemical is C5H6Br2Cl2.
The characteristics of Cyclopropane,1,1-dibromo-2,2-bis(chloromethyl)- are as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.74; (6)ACD/BCF (pH 7.4): 58.74; (7)ACD/KOC (pH 5.5): 642.41; (8)ACD/KOC (pH 7.4): 642.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 48.3 cm3; (15)Molar Volume: 143.7 cm3; (16)Polarizability: 19.14×10-24cm3; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 2.065 g/cm3; (19)Flash Point: 134.5 °C; (20)Enthalpy of Vaporization: 49.49 kJ/mol; (21)Boiling Point: 277.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0078 mmHg at 25°C.
Preparation of Cyclopropane,1,1-dibromo-2,2-bis(chloromethyl)-: This chemical can be prepared by 3-chloro-2-chloromethyl-propene and tribromomethane. The reaction will need reagent 50% aq. NaOH, and the reaction temperature of 25°C, and the yield is about 45%.
Uses of Cyclopropane,1,1-dibromo-2,2-bis(chloromethyl)-: It can react with p-tolyl-magnesium bromide to produce 3,3'-di-p-tolyl-[1,1']bi[bicyclo[1.1.1]pentyl]. This reaction will need reagent MeLi and PdCl2(CH3CN)2, and the menstruum diethyl ether and various solvent(s). And the yield is about 59%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCC1(CCl)CC1(Br)Br
(2)InChI: InChI=1/C5H6Br2Cl2/c6-5(7)1-4(5,2-8)3-9/h1-3H2
(3)InChIKey: RCRVZCIUKQNOIS-UHFFFAOYAE