CAS No.5434-27-5,1,3-DIBROMO-2,2-DIMETHYLPROPANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5434-27-5
Name:	1,3-DIBROMO-2,2-DIMETHYLPROPANE
Article Data:	22

Formula:	C₅H₁₀Br₂
Molecular Weight:	229.942
Synonyms:	1,3-Dibromo-2,2-dimethylpropane;1,3-Dibromoneopentane;2,2-Bis(bromomethyl)propane;2,2-Dimethyl-1,3-dibromopropane;NSC 15754;
EINECS:	226-598-5
Density:	1.672 g/cm³
Melting Point:	-28.63°C (estimate)
Boiling Point:	181.6 °C at 760 mmHg
Flash Point:	58.5 °C
PSA:	0.00000
LogP:	2.80240

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Specification

The Propane,1,3-dibromo-2,2-dimethyl-, with the CAS registry number 5434-27-5, is also known as NSC15754. Its EINECS registry number is 226-598-5. This chemical's molecular formula is C₅H₁₀Br₂and molecular weight is 229.912879. Its IUPAC name is called 1,3-dibromo-2,2-dimethylpropane.

Physical properties of Propane,1,3-dibromo-2,2-dimethyl-: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 174.76; (6)ACD/BCF (pH 7.4): 174.76; (7)ACD/KOC (pH 5.5): 1401.98; (8)ACD/KOC (pH 7.4): 1401.98 ; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.503; (11)Molar Refractivity: 40.64 cm³; (12)Molar Volume: 137.4 cm³; (13)Surface Tension: 33.3 dyne/cm; (14)Density: 1.672 g/cm³; (15)Flash Point: 58.5 °C; (16)Enthalpy of Vaporization: 40.08 kJ/mol; (17)Boiling Point: 181.6 °C at 760 mmHg; (18)Vapour Pressure: 1.15 mmHg at 25°C.

Uses of Propane,1,3-dibromo-2,2-dimethyl-: it can be used to produce 3,3-dimethyl-thietane. This reaction will need reagent ethanol, potassium sulfide.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(CBr)CBr
(2)InChI: InChI=1S/C5H10Br2/c1-5(2,3-6)4-7/h3-4H2,1-2H3
(3)InChIKey: UXAFLFGXSIWWMY-UHFFFAOYSA-N