Home Bromides 823-78-9
823-78-9,MFCD00000176
Catalog No.:AA003J1D
823-78-9 | 3-Bromobenzyl bromide
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10g
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25g
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003J1D
Chemical Name:
3-Bromobenzyl bromide
CAS Number:
823-78-9
Molecular Formula:
C7H6Br2
Molecular Weight:
249.9305
MDL Number:
MFCD00000176
IUPAC Name:
1-bromo-3-(bromomethyl)benzene
InChI:
InChI=1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChI Key:
ZPCJPJQUVRIILS-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1)Br
EC Number:
212-519-1
Properties
Computed Properties
 
Complexity:
83  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.882g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.933g/mol
Monoisotopic Mass:
247.884g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
3-Bromobenzyl bromide 
823-78-9 
ZPCJPJQUVRIILS-UHFFFAOYSA-N 
3-Bromobenzyl bromide, 95% 
alpha-3-Dibromotoluene 
EINECS 212-519-1 
3-bromo-benzylbromide 
PubChem3029 
alpha,m-Dibromotoluene 
m-bromo benzyl bromide 
3-bromo-benzyl bromide 
ACMC-209pok 
1-Bromo-3-(bromomethyl)benzene 
.alpha.,m-Dibromotoluene 
AC1L2D3H 
AC1Q27MU 
AC1Q27OF 
bromo-3-bromomethyl-benzene 
SCHEMBL6882 
ANICHEM INT-1861 
1-bromo-3-bromomethylbenzene 
KSC492Q0F 
3-Bromobenzyl bromide, 99% 
3-bromobenzylbromide 
Toluene, m,.alpha.-dibromo- 
DTXSID4061175 
CTK3J2802 
KS-00000KRF 
OTAVA-BB 3585872 
823-78-9 3-bromobenzyl bromide 
ACT01196 
BCP27924 
ZINC1845655 
ANW-37554 
m-Bromobenzyl bromide 
BBL019514 
STL185586 
WT1820 
AKOS000121498 
AB00107 
AC-7171 
AN-9250 
AS00624 
CS-W008571 
MCULE-8993171485 
alpha,3-Dibromotoluene 
RP28876 
RTC-062397 
TRA0027615 
VZ26501 
AJ-31847 
AK128419 
AS-12839 
BC002386 
CJ-07134 
CJ-30111 
Benzene, 1-bromo-3-(bromomethyl)- 
SC-06862 
AB0007529 
AB1007652 
DB-022378 
ST2415226 
TC-062397 
TL8005448 
AM20041204 
FT-0615210 
ST51039953 
MFCD00000176 
A24184 
M-8837 
24504-EP2308812A2 
24504-EP2314590A1 
I01-2452 
W-104179 
F0001-2109 
InChI=1/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H 
a,m-Dibromotoluene 
?,3-Dibromotoluene 
3-bromo benzyl bromide 
|A,3-Dibromotoluene 
C7H6Br2 
C7-H6-Br2 
CID69979 
AR-1J3881 
B1570 
3-Bromobenzyl bromide, 99% - 100G 100g 
87002-19-5 
1-Bromo-3-bromomethyl-benzene 
Literature

Title: Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound.

Journal: Journal of combinatorial chemistry 20090112

Title: Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.

Journal: Journal of combinatorial chemistry 20090112

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