Home Nitro Compounds 80-82-0
80-82-0,MFCD00053617
Catalog No.:AA003HPM
80-82-0 | 2-Nitrobenzenesulfonic Acid Hydrate
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5g
>98.0%(T)(HPLC)
1 week  
$113.00
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25g
>98.0%(T)(HPLC)
1 week  
$237.00
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Technical Information
Catalog Number:
AA003HPM
Chemical Name:
2-Nitrobenzenesulfonic Acid Hydrate
CAS Number:
80-82-0
Molecular Formula:
C6H5NO5S
Molecular Weight:
203.1726
MDL Number:
MFCD00053617
IUPAC Name:
2-nitrobenzenesulfonic acid
InChI:
InChI=1S/C6H5NO5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,10,11,12)
InChI Key:
HWTDMFJYBAURQR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)O
EC Number:
201-311-6
UN Number:
2305
Properties
Computed Properties
 
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.168g/mol
Monoisotopic Mass:
202.989g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
3-nitrobenzenesulfonic acid 
o-nitrobenzenesulfonic acid 
Benzenesulfonic acid, 2-nitro- 
HWTDMFJYBAURQR-UHFFFAOYSA-N 
2-nitrobenzenesulfonate 
Nitrobenzenesulphonic acid 
2-Nitrobenzenesulphonic acid 
CCRIS 3130 
Nitrobenzolsulfosaure 
EINECS 201-311-6 
UN2305 
Nitrobenzenesulfonic acid 
ortho-nitrobenzenesulfonic acid 
Benzenesulfonic acid,nitro- 
AC1Q6WT4 
SCHEMBL63933 
2-Nitrobenzenesulfonic acid # 
AC1L1N17 
DTXSID9075321 
CTK4G6560 
ZINC2041231 
AKOS015917547 
FCH1320302 
2-NITROBENZENESULFONIC ACID 
ACM31212289 
AJ-33297 
AM101297 
2-Nitrobenzenesulfonic Acid Hydrate, 98% 
AB1009819 
FT-0631360 
FT-0656219 
N0139 
ST24040949 
A820757 
80-82-0 
A839983 
Nitrobenzenesulfonic acid [UN2305] [Corrosive] 
S01-0485 
null 
Pregnanediol V 
2-nitrobenzensulfonsyre 
C6H5NO5S 
2-NITROBENZENESULFONICACID 
CID6664 
C6-H5-N-O5-S 
o-Nitrobenzenesulfonic acid 
2-Nitrobenzenesulphonic acid hydrate 
AR-1E4370 
MFCD00053617 
NA2305 
85328-29-6 
2-Nitrobenzenesulfonate acid 
2-nitro-benzenesulfonic acid 
31212-28-9 
Benzenesulfonic acid, nitro- 
Literature
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