766-96-1

Name 4-Bromophenylacetylene
CAS 766-96-1
EINECS(EC#) 628-102-6
Molecular Formula C8H5Br
MDL Number MFCD00168822
Molecular Weight 181.03
MOL File 766-96-1.mol
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Chemical Properties

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

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H302-H411
Precautionary statements  P264-P270-P273-P301+P312-P391-P501
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

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