Home Bromides 766-81-4
766-81-4,MFCD03839983
Catalog No.:AA003J24
766-81-4 | 3-Bromophenylacetylene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$36.00   $25.00
- +
5g
98%
in stock  
$122.00   $85.00
- +
25g
98%
in stock  
$469.00   $328.00
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J24
Chemical Name:
3-Bromophenylacetylene
CAS Number:
766-81-4
Molecular Formula:
C8H5Br
Molecular Weight:
181.0293
MDL Number:
MFCD03839983
IUPAC Name:
1-bromo-3-ethynylbenzene
InChI:
InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChI Key:
TZDXNFAAJNEYIO-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)Br
Properties
Computed Properties
 
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.957g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.032g/mol
Monoisotopic Mass:
179.957g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
3-Bromophenylacetylene 
766-81-4 
(3-Bromophenyl)ethyne 
PubChem19784 
beta-bromophenylacetylene 
(3-bromophenyl)acetylene 
1-ethynyl-3-bromobenzene 
3-bromo-1-ethynylbenzene 
SCHEMBL1786004 
CTK5J0615 
DTXSID10467201 
TZDXNFAAJNEYIO-UHFFFAOYSA-N 
1-bromo-3-ethynylbenzene 
ACT03017 
KS-00000M5B 
ZINC2513043 
ZX-AT006600 
ANW-36863 
MFCD03839983 
3'-bromophenyl acetylene, AldrichCPR 
AKOS005146038 
CB-1883 
CS-W018828 
3'-Bromophenyl acetylene 
FCH2593022 
OR42232 
RL04922 
VZ25304 
AJ-36774 
AN-47506 
BBV-38357735 
BC004472 
BR-45287 
CC-14531 
1-bromo-3-ethynyl-benzene 
DS-13509 
SY047048 
AB0026634 
AX8005678 
ST2405000 
TC-061279 
A9718 
FT-0632913 
W8343 
MFCD03839983 (98%) 
Benzene, 1-bromo-3-ethynyl- 
S-3089 
766B814 
C-06789 
I01-6024 
C8H5Br 
CID11480818 
AK-45287 
Q-102448 
3'-Bromophenylacetylene 
m-Bromophenylacetylene 
Literature
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