6946-15-2,MFCD00007106
Catalog No.:AA003JH2

6946-15-2 | 3-Hydroxy-4-methyl-2-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$26.00   $18.00
- +
250mg
97%
in stock  
$55.00   $39.00
- +
1g
97%
in stock  
$66.00   $47.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003JH2
Chemical Name:
3-Hydroxy-4-methyl-2-nitrobenzoic acid
CAS Number:
6946-15-2
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00007106
SMILES:
[O-][N+](=O)c1c(ccc(c1O)C)C(=O)O
NSC Number:
53198
Properties
Properties
 
BP:
379.7 °C at 760 mmHg  
Form:
Solid  
MP:
185-187°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.8  

Downstream Synthesis Route

[1]Chu,Wenhua;Kamitori,Shigehiro;Shinomiya,Miho;Carlson,RobertG.;Takusagawa,Fusao[JournaloftheAmericanChemicalSociety,1994,vol.116,#6,p.2243-2253]

[2]Brockmann;Muxfeldt[ChemischeBerichte,1958,vol.91,p.1242,1263]Angyaletal.[JournaloftheChemicalSociety,1957,p.1592,1599]

[1]Brockmann;Muxfeldt[ChemischeBerichte,1958,vol.91,p.1242,1263]Gardner;Grove[JournaloftheChemicalSociety,1953,p.3646]

[2]Angyaletal.[JournaloftheChemicalSociety,1957,p.1592,1599]

[1]Giurg,Miroslaw;Piekielska,Katarzyna;Gebala,Magdalena;Ditkowski,Bartosz;Wolanski,Marcin;Peczynska-Czoch,Wanda;Mlochowski,Jacek[SyntheticCommunications,2007,vol.37,#11,p.1779-1789]

[2]Brockmann;Muxfeldt[ChemischeBerichte,1958,vol.91,p.1242,1263]

3-hydroxy-4-methyl-2-nitro-benzonitrile 
  6946-15-2 

[1]Gardner;Grove[JournaloftheChemicalSociety,1953,p.3646]

[1]Brockmann;Lackner;Mecke;vonGrunelius;Petras;Berndt[ChemischeBerichte,1966,vol.99,#11,p.3672-3687]

Literature
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SDS
Tags:6946-15-2 Molecular Formula|6946-15-2 MDL|6946-15-2 SMILES|6946-15-2 3-Hydroxy-4-methyl-2-nitrobenzoic acid
Catalog No.: AA003JH2
6946-15-2,MFCD00007106
6946-15-2 | 3-Hydroxy-4-methyl-2-nitrobenzoic acid
Pack Size: 100mg
Purity: 97%
in stock
$26.00 $18.00
Pack Size: 250mg
Purity: 97%
in stock
$55.00 $39.00
Pack Size: 1g
Purity: 97%
in stock
$66.00 $47.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003JH2
Chemical Name: 3-Hydroxy-4-methyl-2-nitrobenzoic acid
CAS Number: 6946-15-2
Molecular Formula: C8H7NO5
Molecular Weight: 197.1449
MDL Number: MFCD00007106
SMILES: [O-][N+](=O)c1c(ccc(c1O)C)C(=O)O
NSC Number: 53198
Properties
BP: 379.7 °C at 760 mmHg  
Form: Solid  
MP: 185-187°C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 249  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 1  
XLogP3: 1.8  
Downstream Synthesis Route
67-56-1    6946-15-2    71788-49-3 

[1]Chu,Wenhua;Kamitori,Shigehiro;Shinomiya,Miho;Carlson,RobertG.;Takusagawa,Fusao[JournaloftheAmericanChemicalSociety,1994,vol.116,#6,p.2243-2253]

[2]Brockmann;Muxfeldt[ChemischeBerichte,1958,vol.91,p.1242,1263]Angyaletal.[JournaloftheChemicalSociety,1957,p.1592,1599]

57281-77-3    6946-15-2 

[1]Brockmann;Muxfeldt[ChemischeBerichte,1958,vol.91,p.1242,1263]Gardner;Grove[JournaloftheChemicalSociety,1953,p.3646]

[2]Angyaletal.[JournaloftheChemicalSociety,1957,p.1592,1599]

6946-15-2    552-14-7 

[1]Giurg,Miroslaw;Piekielska,Katarzyna;Gebala,Magdalena;Ditkowski,Bartosz;Wolanski,Marcin;Peczynska-Czoch,Wanda;Mlochowski,Jacek[SyntheticCommunications,2007,vol.37,#11,p.1779-1789]

[2]Brockmann;Muxfeldt[ChemischeBerichte,1958,vol.91,p.1242,1263]

3-hydroxy-4-methyl-2-nitro-benzonitrile 
  6946-15-2 

[1]Gardner;Grove[JournaloftheChemicalSociety,1953,p.3646]

1738-68-7    6946-15-2    14664-07-4 

[1]Brockmann;Lackner;Mecke;vonGrunelius;Petras;Berndt[ChemischeBerichte,1966,vol.99,#11,p.3672-3687]

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