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54268-02-9

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Basic Information
CAS No.: 54268-02-9
Name: 1,2,2,3-TETRABROMOPROPANE
Molecular Structure:
Molecular Structure of 54268-02-9 (1,2,2,3-TETRABROMOPROPANE)
Formula: C3H4Br4
Molecular Weight: 359.681
Synonyms: 1,2,2,3-Tetrabromopropane;
Density: 2.749g/cm3
Melting Point: 10.7°C
Boiling Point: 268.4 °C at 760 mmHg
Flash Point: 114.9 °C
PSA: 0.00000
LogP: 3.26230
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Specification

The Propane,1,2,2,3-tetrabromo-, with CAS registry number 54268-02-9, has the systematic name of 1,2,2,3-tetrabromopropane. Its molecular weight is 359.68. And the chemical formula of this chemical is C3H4Br4.

Physical properties of Propane,1,2,2,3-tetrabromo-: (1)ACD/LogP: 4.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.6; (4)ACD/LogD (pH 7.4): 4.6; (5)ACD/BCF (pH 5.5): 1858.77; (6)ACD/BCF (pH 7.4): 1858.77; (7)ACD/KOC (pH 5.5): 7615.67; (8)ACD/KOC (pH 7.4): 7615.67; (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: 1.634; (14)Molar Refractivity: 46.84 cm3; (15)Molar Volume: 130.8 cm3; (16)Polarizability: 18.56×10-24cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 2.749 g/cm3; (19)Flash Point: 114.9 °C; (20)Enthalpy of Vaporization: 48.61 kJ/mol; (21)Boiling Point: 268.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0127 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(Br)(CBr)CBr
(2)InChI: InChI=1/C3H4Br4/c4-1-3(6,7)2-5/h1-2H2
(3)InChIKey: SNLFZAHVOKOBOP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C3H4Br4/c4-1-3(6,7)2-5/h1-2H2
(5)Std. InChIKey: SNLFZAHVOKOBOP-UHFFFAOYSA-N