4769-96-4,MFCD00051497
Catalog No.:AA003N8N

4769-96-4 | 6-Nitroindole

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Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$6.00   $4.00
- +
1g
98%
in stock  
$11.00   $8.00
- +
5g
98%
in stock  
$19.00   $13.00
- +
10g
98%
in stock  
$23.00   $16.00
- +
25g
98%
in stock  
$56.00   $39.00
- +
100g
98%
in stock  
$221.00   $155.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003N8N
Chemical Name:
6-Nitroindole
CAS Number:
4769-96-4
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00051497
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]cc2
NSC Number:
89285
Properties
Properties
 
BP:
362.6°C at 760 mmHg  
Form:
Solid  
MP:
137-143 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Synonyms
 
  
Upstream Synthesis Route

[1]JournalofMedicinalChemistry,1990,vol.33,#9,p.2437-2451

[2]Patent:US2005/70534,2005,A1,.Locationinpatent:Page/Pagecolumn14

[3]Patent:CN106748834,2017,A,.Locationinpatent:Paragraph0016;0033;0036

[4]Molecules,2014,vol.19,#1,p.925-939

[5]CatalysisCommunications,2016,vol.84,p.25-29

[6]Chemistry-AEuropeanJournal,2018,vol.24,#31,p.7926-7938

[7]JournaloftheAmericanChemicalSociety,1954,vol.76,p.5149

[8]Patent:US4997844,1991,A,

[9]Patent:US6228877,2001,B1,

[10]ACSCatalysis,2014,vol.4,#5,p.1441-1450

[11]Patent:WO2016/57834,2016,A1,.Locationinpatent:Paragraph000420

[12]JournaloftheAmericanChemicalSociety,2018,vol.140,#48,p.16460-16463

[1]ChemistryLetters,1980,p.1287-1290

[2]Chemistry-AEuropeanJournal,2018,vol.24,#31,p.7926-7938

[3]AngewandteChemie-InternationalEdition,2018,vol.57,#35,p.11262-11266

[4]Angew.Chem.,2018,vol.130,#35,p.11432-11436,5

[5]AdvancedSynthesisandCatalysis,2017,vol.359,#14,p.2358-2363

[6]ChemistryofHeterocyclicCompounds(NewYork,NY,UnitedStates),1991,vol.27,#5,p.506-507

[7]KhimiyaGeterotsiklicheskikhSoedinenii,1991,vol.27,#5,p.636-637

[8]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1984,#7,p.1401-1404

[9]TetrahedronLetters,2001,vol.42,#32,p.5385-5387

[10]Heterocycles,2007,vol.74,#C,p.629-635

[11]ZhurnalObshcheiKhimii,1959,vol.29,p.2541,2550;engl.Ausg.S.2504,2511

[12]NipponKagakuZasshi,1957,vol.78,p.1372

[13]Chem.Abstr.,1960,p.491

[14]JournalofPharmacologyandExperimentalTherapeutics,2007,vol.322,#2,p.843-851

[15]Heterocycles,2001,vol.55,#6,p.1151-1159

[16]Heterocycles,2001,vol.55,#6,p.1151-1159

[17]Heterocycles,2001,vol.55,#6,p.1151-1159

[18]Heterocycles,2001,vol.55,#6,p.1151-1159

[19]Heterocycles,2001,vol.55,#6,p.1151-1159

[20]Heterocycles,2001,vol.55,#6,p.1151-1159

[21]Heterocycles,2001,vol.55,#6,p.1151-1159

[22]Heterocycles,2001,vol.55,#6,p.1151-1159

[23]Synthesis,1992,#6,p.571-576

[1]Chemistry-AEuropeanJournal,2010,vol.16,#27,p.7992-7995

[1]Heterocycles,2001,vol.55,#6,p.1151-1159

[1]RSCAdvances,2014,vol.4,#9,p.4672-4675

Downstream Synthesis Route

[1]ChemistryLetters,1980,p.1287-1290

[2]Chemistry-AEuropeanJournal,2018,vol.24,p.7926-7938

[3]AngewandteChemie-InternationalEdition,2018,vol.57,p.11262-11266    Angew.Chem.,2018,vol.130,p.11432-11436,5

[4]Chemistry-AEuropeanJournal,2020,vol.26,p.9561-9572

[5]OrganicLetters,2020

[6]AdvancedSynthesisandCatalysis,2017,vol.359,p.2358-2363

[7]ChemistryofHeterocyclicCompounds,1991,vol.27,p.506-507    KhimiyaGeterotsiklicheskikhSoedinenii,1991,vol.27,p.636-637

[8]JournaloftheChemicalSociety.PerkintransactionsI,1984,p.1401-1404

[9]TetrahedronLetters,2001,vol.42,p.5385-5387

[10]TetrahedronLetters,2018,vol.59,p.3958-3960

[11]Heterocycles,2007,vol.74,p.629-635

[12]JournalofOrganicChemistry,2020,vol.85,p.7501-7509

[13]ZhurnalObshcheiKhimii,1959,vol.29,p.2541,2550;engl.Ausg.S.2504,2511

[14]NipponKagakuZasshi,1957,vol.78,p.1372    Chem.Abstr.,1960,p.491

[15]JournalofPharmacologyandExperimentalTherapeutics,2007,vol.322,p.843-851

[16]Heterocycles,2001,vol.55,p.1151-1159

[17]Heterocycles,2001,vol.55,p.1151-1159

[18]Heterocycles,2001,vol.55,p.1151-1159

[19]Heterocycles,2001,vol.55,p.1151-1159

[20]Heterocycles,2001,vol.55,p.1151-1159

[21]Heterocycles,2001,vol.55,p.1151-1159

[22]Heterocycles,2001,vol.55,p.1151-1159

[23]Heterocycles,2001,vol.55,p.1151-1159

[24]Synthesis,1992,p.571-576

[25]ChemistryLetters,2019,vol.48,p.517-520

[1]Parmerteretal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.4621]

[1]Majima;Kotake[ChemischeBerichte,1930,vol.63,p.2237,2243]

[1]JournalofMedicinalChemistry,1990,vol.33,p.1771-1781

[2]ChemMedChem,2020,vol.15,p.50-67

[3]Patent:US4837235,1989,A

[1]JournalofMedicinalChemistry,1990,vol.33,p.2437-2451

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis.

Journal: Journal of medicinal chemistry 20040603

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Additional Info:
SDS
Tags:4769-96-4 Molecular Formula|4769-96-4 MDL|4769-96-4 SMILES|4769-96-4 6-Nitroindole
Catalog No.: AA003N8N
4769-96-4,MFCD00051497
4769-96-4 | 6-Nitroindole
Pack Size: 250mg
Purity: 98%
in stock
$6.00 $4.00
Pack Size: 1g
Purity: 98%
in stock
$11.00 $8.00
Pack Size: 5g
Purity: 98%
in stock
$19.00 $13.00
Pack Size: 10g
Purity: 98%
in stock
$23.00 $16.00
Pack Size: 25g
Purity: 98%
in stock
$56.00 $39.00
Pack Size: 100g
Purity: 98%
in stock
$221.00 $155.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003N8N
Chemical Name: 6-Nitroindole
CAS Number: 4769-96-4
Molecular Formula: C8H6N2O2
Molecular Weight: 162.1454
MDL Number: MFCD00051497
SMILES: [O-][N+](=O)c1ccc2c(c1)[nH]cc2
NSC Number: 89285
Properties
BP: 362.6°C at 760 mmHg  
Form: Solid  
MP: 137-143 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 190  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
83:   
Upstream Synthesis Route
4769-96-4    5318-27-4 

[1]JournalofMedicinalChemistry,1990,vol.33,#9,p.2437-2451

[2]Patent:US2005/70534,2005,A1,.Locationinpatent:Page/Pagecolumn14

[3]Patent:CN106748834,2017,A,.Locationinpatent:Paragraph0016;0033;0036

[4]Molecules,2014,vol.19,#1,p.925-939

[5]CatalysisCommunications,2016,vol.84,p.25-29

[6]Chemistry-AEuropeanJournal,2018,vol.24,#31,p.7926-7938

[7]JournaloftheAmericanChemicalSociety,1954,vol.76,p.5149

[8]Patent:US4997844,1991,A,

[9]Patent:US6228877,2001,B1,

[10]ACSCatalysis,2014,vol.4,#5,p.1441-1450

[11]Patent:WO2016/57834,2016,A1,.Locationinpatent:Paragraph000420

[12]JournaloftheAmericanChemicalSociety,2018,vol.140,#48,p.16460-16463

19727-83-4    4769-96-4 

[1]ChemistryLetters,1980,p.1287-1290

[2]Chemistry-AEuropeanJournal,2018,vol.24,#31,p.7926-7938

[3]AngewandteChemie-InternationalEdition,2018,vol.57,#35,p.11262-11266

[4]Angew.Chem.,2018,vol.130,#35,p.11432-11436,5

[5]AdvancedSynthesisandCatalysis,2017,vol.359,#14,p.2358-2363

[6]ChemistryofHeterocyclicCompounds(NewYork,NY,UnitedStates),1991,vol.27,#5,p.506-507

[7]KhimiyaGeterotsiklicheskikhSoedinenii,1991,vol.27,#5,p.636-637

[8]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1984,#7,p.1401-1404

[9]TetrahedronLetters,2001,vol.42,#32,p.5385-5387

[10]Heterocycles,2007,vol.74,#C,p.629-635

[11]ZhurnalObshcheiKhimii,1959,vol.29,p.2541,2550;engl.Ausg.S.2504,2511

[12]NipponKagakuZasshi,1957,vol.78,p.1372

[13]Chem.Abstr.,1960,p.491

[14]JournalofPharmacologyandExperimentalTherapeutics,2007,vol.322,#2,p.843-851

[15]Heterocycles,2001,vol.55,#6,p.1151-1159

[16]Heterocycles,2001,vol.55,#6,p.1151-1159

[17]Heterocycles,2001,vol.55,#6,p.1151-1159

[18]Heterocycles,2001,vol.55,#6,p.1151-1159

[19]Heterocycles,2001,vol.55,#6,p.1151-1159

[20]Heterocycles,2001,vol.55,#6,p.1151-1159

[21]Heterocycles,2001,vol.55,#6,p.1151-1159

[22]Heterocycles,2001,vol.55,#6,p.1151-1159

[23]Synthesis,1992,#6,p.571-576

1245255-75-7    4769-96-4 

[1]Chemistry-AEuropeanJournal,2010,vol.16,#27,p.7992-7995

19727-83-4    4769-96-4    354807-12-8 

[1]Heterocycles,2001,vol.55,#6,p.1151-1159

121-14-2    4637-24-5    4769-96-4 

[1]RSCAdvances,2014,vol.4,#9,p.4672-4675

Downstream Synthesis Route
19727-83-4    4769-96-4 

[1]ChemistryLetters,1980,p.1287-1290

[2]Chemistry-AEuropeanJournal,2018,vol.24,p.7926-7938

[3]AngewandteChemie-InternationalEdition,2018,vol.57,p.11262-11266    Angew.Chem.,2018,vol.130,p.11432-11436,5

[4]Chemistry-AEuropeanJournal,2020,vol.26,p.9561-9572

[5]OrganicLetters,2020

[6]AdvancedSynthesisandCatalysis,2017,vol.359,p.2358-2363

[7]ChemistryofHeterocyclicCompounds,1991,vol.27,p.506-507    KhimiyaGeterotsiklicheskikhSoedinenii,1991,vol.27,p.636-637

[8]JournaloftheChemicalSociety.PerkintransactionsI,1984,p.1401-1404

[9]TetrahedronLetters,2001,vol.42,p.5385-5387

[10]TetrahedronLetters,2018,vol.59,p.3958-3960

[11]Heterocycles,2007,vol.74,p.629-635

[12]JournalofOrganicChemistry,2020,vol.85,p.7501-7509

[13]ZhurnalObshcheiKhimii,1959,vol.29,p.2541,2550;engl.Ausg.S.2504,2511

[14]NipponKagakuZasshi,1957,vol.78,p.1372    Chem.Abstr.,1960,p.491

[15]JournalofPharmacologyandExperimentalTherapeutics,2007,vol.322,p.843-851

[16]Heterocycles,2001,vol.55,p.1151-1159

[17]Heterocycles,2001,vol.55,p.1151-1159

[18]Heterocycles,2001,vol.55,p.1151-1159

[19]Heterocycles,2001,vol.55,p.1151-1159

[20]Heterocycles,2001,vol.55,p.1151-1159

[21]Heterocycles,2001,vol.55,p.1151-1159

[22]Heterocycles,2001,vol.55,p.1151-1159

[23]Heterocycles,2001,vol.55,p.1151-1159

[24]Synthesis,1992,p.571-576

[25]ChemistryLetters,2019,vol.48,p.517-520

10242-00-9    4769-96-4 

[1]Parmerteretal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.4621]

10242-03-2    4769-96-4 

[1]Majima;Kotake[ChemischeBerichte,1930,vol.63,p.2237,2243]

4769-96-4    70264-94-7    104437-17-4 

[1]JournalofMedicinalChemistry,1990,vol.33,p.1771-1781

[2]ChemMedChem,2020,vol.15,p.50-67

[3]Patent:US4837235,1989,A

4769-96-4    104436-60-4    104436-68-2 

[1]JournalofMedicinalChemistry,1990,vol.33,p.2437-2451

Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

Title: Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis.

Journal: Journal of medicinal chemistry20040603

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