| Identification | More | [Name]
4-Bromophenylacetylene | [CAS]
766-96-1 | [Synonyms]
1-BROMO-4-ETHYNYLBENZENE
1-ETHYNYL-4-BROMOBENZENE
4'-BROMOPHENYL ACETYLENE
4-BROMOPHENYLACETYLENE
(4-BROMPHENYL)-ACETYLEN 97%
(4-Bromophenyl)acetylene,97% | [EINECS(EC#)]
628-102-6 | [Molecular Formula]
C8H5Br | [MDL Number]
MFCD00168822 | [Molecular Weight]
181.03 | [MOL File]
766-96-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-White Solid | [Melting point ]
64-67 °C(lit.)
| [Boiling point ]
88-90°C 16mm | [density ]
1.4255 (rough estimate) | [refractive index ]
1.6411 (estimate) | [Fp ]
88-90°C/16mm | [storage temp. ]
Sealed in dry,Store in freezer, under -20°C | [solubility ]
Soluble in chloroform, diethyl ether and ethanol. | [form ]
Powder, Crystalline Powder or Solid | [color ]
White to yellow | [Usage]
Starting material for heterocyclotriynes, second-order nonlinear optical materials, and unsymmetrical 1,4-diarylbutadiynes | [BRN ]
1209726 | [InChI]
InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H | [InChIKey]
LTLVZQZDXQWLHU-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=C(C#C)C=C1 | [CAS DataBase Reference]
766-96-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-bromo-4-ethynyl-(766-96-1) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N | [Risk Statements ]
R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 3077 9/PG 3
| [WGK Germany ]
2
| [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29039990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Chronic 2 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Uses]
Starting material for heterocyclotriynes, second-order nonlinear optical materials, and unsymmetrical 1,4-diarylbutadiynes | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 54, p. 3224, 1989 DOI: 10.1021/jo00274a055
Tetrahedron, 62, p. 6673, 2006 DOI: 10.1016/j.tet.2005.12.077 | [Synthesis]
Under nitrogen protection, 25 mL of triethylamine, 1.415 g (5.0 mmol) of 4-bromoiodobenzene, 420 mg (5.0 mmol) of 2-methyl-3-butyn-2-ol, and 70 mg (0.1 mmol) of bis(triphenylphosphine)palladium dichloride (Pd(PPh3)2Cl2), triphenylphosphine ( PPh3) 105 |
|
|