Home Bromides 6940-49-4
6940-49-4,MFCD00040520
Catalog No.:AA003J29
6940-49-4 | 3-Bromophthalide
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%(GC)
in stock  
$26.00   $18.00
- +
5g
97%(GC)
in stock  
$59.00   $42.00
- +
10g
97%
in stock  
$68.00   $48.00
- +
25g
97%
in stock  
$84.00   $59.00
- +
100g
97%
in stock  
$147.00   $103.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003J29
Chemical Name:
3-Bromophthalide
CAS Number:
6940-49-4
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
MDL Number:
MFCD00040520
IUPAC Name:
3-bromo-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H5BrO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H
InChI Key:
CLMSHAWYULIVFQ-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)Br
EC Number:
230-084-6
NSC Number:
60137
Properties
Computed Properties
 
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.947g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.03g/mol
Monoisotopic Mass:
211.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
3-Bromophthalide 
6940-49-4 
3-bromo-3H-isobenzofuran-1-one 
AK-80046 
W-104627 
3-bromophtalide 
3-bromophthalid 
3 bromo phthalide 
NSC60137 
EINECS 230-084-6 
NSC 60137 
PubChem12493 
3-bromoisobenzofuran-1(3H)-one 
AC1L3VZW 
3-BROMO-PHTHALIDE 
(+/-)-3-Bromophthalide 
3-bromo-1-isobenzofuranone 
AC1Q6HB1 
SCHEMBL304982 
ACMC-209o85 
SCHEMBL12991705 
CTK3J2460 
KS-00000EAQ 
Phthalidyl bromide 
3-bromo-3H-2-benzofuran-1-one 
CLMSHAWYULIVFQ-UHFFFAOYSA-N 
3-bromo-2-benzofuran-1(3H)-one 
3-bromo-1-(3h)-iso-benzofuranone 
EBD23006 
3-bromanyl-3H-2-benzofuran-1-one 
ANW-35667 
MFCD00040520 
NSC-60137 
1H-Isobenzofuran-3-on-1-yl Bromide 
3-bromo phthalide 
AKOS005216059 
FCH1320324 
LS40549 
MCULE-1893086762 
RL04654 
RTC-063835 
VZ26518 
(+/-)-3-Bromo-1(3H)-isobenzofuranone 
AS-14530 
BC003662 
2-Bromophthalide 
BC220361 
CC-14540 
L498 
OR315754 
SC-17484 
SY036169 
3-bromo-1,3-dihydro-2-benzofuran-1-one 
AX8005694 
DB-055271 
ST2404997 
bromophthalide 
TC-063835 
B1068 
FT-0615239 
MFCD00040520 (97%) 
A19065 
940B494 
A844866 
C-11190 
I01-2817 
C8H5BrO2 
3-Bromo-1(3H)-isobenzofuranone 
C8-H5-Br-O2 
3-Chloro-alpha-methylbenzyl alcohol 
CID96218 
AR-1L0948 
94-18-8 
1(3H)-Isobenzofuranone, 3-bromo- 
1(3H)-Isobenzofuranone, bromo- 
Literature
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