CAS No.98577-44-7,1,1-Dibromo-2,2-bis(chloromethyl)cyclopropane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98577-44-7
Name:	1,1-Dibromo-2,2-bis(chloromethyl)cyclopropane
Article Data:	15

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
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