CAS No.28148-04-1,1,3-dibromo-2-methyl-propane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28148-04-1
Name:	1,3-dibromo-2-methyl-propane
Article Data:	10

Formula:	C₄H₈Br₂
Molecular Weight:	215.916
Synonyms:	1,3-Dibromo-2-methylpropane;2-Methyl-1,3-dibromopropane;1,3-dibromo-2-methylpropane;Propane, 1,3-dibromo-2-methyl-;
Density:	1.779 g/cm³
Melting Point:	-25.98°C (estimate)
Boiling Point:	177.5 °C at 760 mmHg
Flash Point:	48.8 °C
PSA:	0.00000
LogP:	2.41230

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Specification

The 1,3-dibromo-2-methyl-propane, with the CAS registry number 28148-04-1, has the systematic name and IUPAC name of 1,3-dibromo-2-methylpropane. It belongs to the following product categories: Benzhydrols, Benzyl & Special Alcohols. And the molecular formula of the chemical is C₄H₈Br₂.

The characteristics of 1,3-dibromo-2-methyl-propane are as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 94.8; (6)ACD/BCF (pH 7.4): 94.8; (7)ACD/KOC (pH 5.5): 904.92; (8)ACD/KOC (pH 7.4): 904.92; (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: 1.505; (14)Molar Refractivity: 36 cm³; (15)Molar Volume: 121.3 cm³; (16)Polarizability: 14.27×10^-24cm³; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.779 g/cm³; (19)Flash Point: 48.8 °C; (20)Enthalpy of Vaporization: 39.68 kJ/mol; (21)Boiling Point: 177.5 °C at 760 mmHg; (22)Vapour Pressure: 1.4 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC(C)CBr
(2)InChI: InChI=1/C4H8Br2/c1-4(2-5)3-6/h4H,2-3H2,1H3
(3)InChIKey: SMGXHVWYXQYMNN-UHFFFAOYAF