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Name |
1-Propene, 1,1-dibromo- |
EINECS | 236-162-6 |
CAS No. | 13195-80-7 | Density | 2.042 g/cm3 |
PSA | 0.00000 | LogP | 2.63750 |
Solubility | N/A | Melting Point |
126-128°C |
Formula | C3H4Br2 | Boiling Point | 127.2 °C at 760 mmHg |
Molecular Weight | 199.873 | Flash Point | 9.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 16-26-36 | Risk Codes | 10-36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propene,1,1-dibromo- (6CI);1,1-Dibromopropene; |
Article Data | 15 |
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