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60623-74-7

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Basic Information
CAS No.: 60623-74-7
Name: 2,2-DIBROMOHEPTANITRILE
Molecular Structure:
Molecular Structure of 60623-74-7 (2,2-DIBROMOHEPTANITRILE)
Formula: C7H11Br2N
Molecular Weight: 268.979
Synonyms: 2,2-Dibromoheptanenitrile;
Density: 1.641g/cm3
Boiling Point: 228.9 °C at 760 mmHg
Flash Point: 92.2 °C
PSA: 23.79000
LogP: 3.57638
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Specification

The Heptanenitrile,2,2-dibromo-, with CAS registry number 60623-74-7, belongs to the following product categories: (1)API intermediates; (2)Nitro / Nitriles. It has the systematic name of 2,2-dibromoheptanenitrile. And the chemical formula of this chemical is C7H11Br2N.

Physical properties of Heptanenitrile,2,2-dibromo-: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.77; (4)ACD/LogD (pH 7.4): 3.77; (5)ACD/BCF (pH 5.5): 433.78; (6)ACD/BCF (pH 7.4): 433.78; (7)ACD/KOC (pH 5.5): 2687.59; (8)ACD/KOC (pH 7.4): 2687.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 49.82 cm3; (15)Molar Volume: 163.8 cm3; (16)Polarizability: 19.75×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.641 g/cm3; (19)Flash Point: 92.2 °C; (20)Enthalpy of Vaporization: 46.55 kJ/mol; (21)Boiling Point: 228.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0718 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(Br)(CCCCC)C#N
(2)InChI: InChI=1/C7H11Br2N/c1-2-3-4-5-7(8,9)6-10/h2-5H2,1H3
(3)InChIKey: AAKAUBPKRRQJLY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H11Br2N/c1-2-3-4-5-7(8,9)6-10/h2-5H2,1H3
(5)Std. InChIKey: AAKAUBPKRRQJLY-UHFFFAOYSA-N