Heptane, 1,7-dibromo- (4549-31-9)

The 1,7-Dibromoheptane, with the CAS registry number 4549-31-9, is also known as Heptane, 1,7-dibromo-. It belongs to the product categories of Bromine Compounds; alpha,omega-Bifunctional Alkanes; alpha,omega-Dibromoalkanes; Monofunctional & alpha,omega-Bifunctional Alkanes; Intermediates. Its EINECS number is 224-910-4. This chemical's molecular formula is C₇H₁₄Br₂ and formula weight is 257.99. What's more, both its IUPAC name and systematic name are the same which is called 1,7-Dibromoheptane. This chemical is colorless liquid.

Physical properties about this chemical are: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 912.08; (6)ACD/BCF (pH 7.4): 912.08; (7)ACD/KOC (pH 5.5): 4575.02; (8)ACD/KOC (pH 7.4): 4575.02; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 49.94 cm³; (15)Molar Volume: 170.4 cm³; (16)Surface Tension: 35.1 dyne/cm; (17)Density: 1.513 g/cm³; (18)Flash Point: 132.8 °C; (19)Enthalpy of Vaporization: 48.06 kJ/mol; (20)Boiling Point: 263 °C at 760 mmHg; (21)Vapour Pressure: 0.0172 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Firstly, this chemical at low levels may cause damage to health. Secondly, it may present an immediate or delayed danger to one or more components of the environment. Thirdly, this chemical may cause inflammation to the skin or other mucous membranes. It is toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. Whenever you will contact it, please wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCBr
(2)InChI: InChI=1/C7H14Br2/c8-6-4-2-1-3-5-7-9/h1-7H2
(3)InChIKey: LVWSZGCVEZRFBT-UHFFFAOYAU