Heptanenitrile,2,2-dibromo- supplier

Name
2,2-DIBROMOHEPTANITRILE
EINECS
CAS No. 60623-74-7
Density 1.641g/cm³
Solubility
Melting Point
Formula C₇H₁₁Br₂N
Boiling Point 228.9 °C at 760 mmHg
Molecular Weight 268.979
Flash Point 92.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2-Dibromoheptanenitrile;
PSA 23.79000
LogP 3.57638

Heptanenitrile,2,2-dibromo- 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

Product Name

2,2-DIBROMOHEPTANITRILE

Heptanenitrile,2,2-dibromo- Specification

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