1,1-DIBROMO-1-PROPENE

The 1-Propene, 1,1-dibromo-, with CAS registry number 13195-80-7, has the systematic name of 1,1-dibromoprop-1-ene. Besides this, it is also called 1,1-Dibromo-1-propene. And the chemical formula of this chemical is C₃H₄Br₂. What's more, its EINECS is 236-162-6.

Physical properties of 1-Propene, 1,1-dibromo-: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.43; (6)ACD/BCF (pH 7.4): 58.43; (7)ACD/KOC (pH 5.5): 639.95; (8)ACD/KOC (pH 7.4): 639.95; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 31.31 cm³; (15)Molar Volume: 97.8 cm³; (16)Polarizability: 12.41×10^-24cm³; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 2.042 g/cm³; (19)Flash Point: 9.9 °C; (20)Enthalpy of Vaporization: 34.99 kJ/mol; (21)Boiling Point: 127.2 °C at 760 mmHg; (22)Vapour Pressure: 13.6 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1,1-tribromo-2-methoxy-propane. This reaction will need reagent nBuLi.

When you are using this chemical, please be cautious about it as the following:
The 1-Propene, 1,1-dibromo- irritates to eyes, respiratory system and skin. And this chemical is flammable, so keep it away from sources of ignition. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Br\C(Br)=C/C
(2)InChI: InChI=1/C3H4Br2/c1-2-3(4)5/h2H,1H3
(3)InChIKey: HTEJLXYOJZOXKM-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C3H4Br2/c1-2-3(4)5/h2H,1H3
(5)Std. InChIKey: HTEJLXYOJZOXKM-UHFFFAOYSA-N