1-BROMO-2-BUTYNE Basic information |
Product Name: | 1-BROMO-2-BUTYNE |
Synonyms: | 1-BROMO-2-BUTYNE;2-BUTYNYL BROMIDE;1-Bromobut-2-yne 95%;1-BROMO-2-BUTYNE, 98%1-BROMO-2-BUTYNE, 98%1-BROMO-2-BUTYNE, 98%1-BROMO-2-BUTYNE, 98%;1-BROMO-2-BUTYNE 98%;1-Bromo-2-butyne,98%;But-2-yn-1-yl bromide;1-broMo -2-Ding Que |
CAS: | 3355-28-0 |
MF: | C4H5Br |
MW: | 132.99 |
EINECS: | 608-891-3 |
Product Categories: | Intermediates;Acetylenes;Functionalized Acetylenes;Alkynyl;Halogenated Hydrocarbons;Organic Building Blocks |
Mol File: | 3355-28-0.mol |
1-BROMO-2-BUTYNE Chemical Properties |
Boiling point | 40-41 °C/20 mmHg (lit.) |
density | 1.519 g/mL at 25 °C (lit.) |
refractive index | n |
Fp | 97 °F |
storage temp. | Flammables area |
solubility | Miscible with acetonitrile. |
form | Liquid |
Specific Gravity | 1.519 |
color | Clear pale yellow-greenish |
BRN | 605306 |
InChIKey | LNNXOEHOXSYWLD-UHFFFAOYSA-N |
CAS DataBase Reference | 3355-28-0(CAS DataBase Reference) |
Safety Information |
Risk Statements | 10 |
Safety Statements | 16-24/25 |
RIDADR | UN 1993 3/PG 3 |
WGK Germany | 3 |
F | 10-23 |
HazardClass | 3 |
PackingGroup | III |
HS Code | 29033990 |
Computational chemistry
1. Reference value of hydrophobic parameter Calculation (XlogP) :1.6
2. Number of hydrogen bond donors :0
3. Number of hydrogen bond receptors :0
4. Number of rotatable chemical bonds :0
5. Number of tautomers: None
6. Polar surface area of topological molecules is 0
7. Number of heavy atoms :5
8. Surface charge :0
9. Complexity :62.2
10. Isotope atomic number :0
11. Determine the number of primary structural centers :0
12. Number of uncertain atomic centers :0
13. Determine the number of chemical bond centers :0
14. Number of uncertain chemical bond centers :0
15. Number of covalent bond units :1