Home Bromides 52488-28-5
52488-28-5,MFCD06659815
Catalog No.:AA003J0J
52488-28-5 | 3-Bromo-5-nitrotoluene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$15.00   $10.00
- +
5g
97%
in stock  
$29.00   $20.00
- +
25g
97%
in stock  
$72.00   $50.00
- +
100g
97%
in stock  
$229.00   $160.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
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Technical Information
Catalog Number:
AA003J0J
Chemical Name:
3-Bromo-5-nitrotoluene
CAS Number:
52488-28-5
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD06659815
IUPAC Name:
1-bromo-3-methyl-5-nitrobenzene
InChI:
InChI=1S/C7H6BrNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
InChI Key:
MWFDNXJPZUOTJB-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)cc(c1)[N+](=O)[O-]
EC Number:
257-955-3
Properties
Computed Properties
 
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
3-Bromo-5-nitrotoluene 
1-bromo-3-methyl-5-nitrobenzene 
BEN306 
3-BROMO-5-NITROTLOLUENE 
CTK4J5991 
1-bromo-5-methyl-3-nitrobenzene 
DTXSID00200482 
MWFDNXJPZUOTJB-UHFFFAOYSA-N 
1-bromo-3-methyl-5-nitro-benzene 
BCP26878 
ZINC4352719 
3-BROMO-5-METHYLNITROBENZENE 
52488-28-5 
ANW-31476 
CL8829 
MFCD06659815 
SBB062903 
AKOS015969438 
AB26378 
AN-1526 
AS03668 
CM13938 
EBD1615704 
Benzene, 1-bromo-3-methyl-5-nitro- 
MCULE-2997434909 
RTC-030475 
TRA0043517 
VZ21278 
KS-00000D87 
AC-23465 
AJ-50809 
AK-40030 
AS-18924 
CJ-11971 
Benzene,1-bromo-3-methyl-5-nitro- 
QC-10575 
SC-89160 
SY013063 
AB0030967 
DB-005708 
ST2408714 
TC-030475 
4CH-002937 
FT-0080264 
FT-0640072 
EINECS 257-955-3 
X3264 
M-2011 
MFCD06659815 (97+%) 
C7H6BrNO2 
C7-H6-Br-N-O2 
AR-1C1975 
CID104213 
ZINC04352719 
ACN-050530 
5344-93-4 
ACMC-209kzq 
AC1L2WC9 
AC1Q25KO 
SCHEMBL810499 
Literature
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