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Organic 1 3-dipolar compounds

Dipolar organic compounds characterized by having delocalized electrons with charge separation over three atoms. Commonly used as reactants in 1,3-dipolar cycloaddition reactions.
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1 – 7 of 7 results
2

1,3-Dimethyl-5-nitroadamantane, TRC

CAS: 6588-68-7 Chemical Name or Material: 1,3-Dimethyl-5-nitroadamantane Formula Weight: 209.1416 InChI Formula: InChI=1S/C12H19NO2/c1-10-3-9-4-11(2,6-10)8-12(5-9,7-10)13(14)15/h9H,3-8H2,1-2H3/t9-,10+,11-,12- IUPAC Name: (1S,3R)-1,3-dimethyl-5-nitroadamantane Molecular Formula: C12H19NO2 Molecular Weight (g/mol): 209.28 Recommended Storage: 4°C SMILES: O=[N+]([O-])[C@@]1(C2)C[C@]3(C)C[C@H]2C[C@@](C1)(C)C3 Synonym: 1,3-Dimethyl-5-nitroadamantane

CAS 6588-68-7
Molecular Weight (g/mol) 209.28
InChI Formula InChI=1S/C12H19NO2/c1-10-3-9-4-11(2,6-10)8-12(5-9,7-10)13(14)15/h9H,3-8H2,1-2H3/t9-,10+,11-,12-
Chemical Name or Material 1,3-Dimethyl-5-nitroadamantane
Synonym 1,3-Dimethyl-5-nitroadamantane
SMILES O=[N+]([O-])[C@@]1(C2)C[C@]3(C)C[C@H]2C[C@@](C1)(C)C3
Recommended Storage 4°C
Molecular Formula C12H19NO2
IUPAC Name (1S,3R)-1,3-dimethyl-5-nitroadamantane
Formula Weight 209.1416
3

4,6-dimethyl-3-nitropyridin-2(1{H})-one, TRC

CAS: 22934-13-0 Chemical Name or Material: 4,6-dimethyl-3-nitropyridin-2(1(H))-one Formula Weight: 168.0535 InChI Formula: InChI=1S/C7H8N2O3/c1-4-3-5(2)8-7(10)6(4)9(11)12/h3H,1-2H3,(H,8,10) IUPAC Name: 4,6-dimethyl-3-nitro-1H-pyridin-2-one Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 Recommended Storage: 20°C SMILES: CC1=CC(=C(C(=O)N1)[N+](=O)[O-])C Synonym: 2-Pyridinol, 4,6-dimethyl-3-nitro- (7CI,8CI),4,6-Dimethyl-3-nitro-2(1H)-pyridinone

CAS 22934-13-0
Molecular Weight (g/mol) 168.15
InChI Formula InChI=1S/C7H8N2O3/c1-4-3-5(2)8-7(10)6(4)9(11)12/h3H,1-2H3,(H,8,10)
Chemical Name or Material 4,6-dimethyl-3-nitropyridin-2(1(H))-one
Synonym 2-Pyridinol, 4,6-dimethyl-3-nitro- (7CI,8CI),4,6-Dimethyl-3-nitro-2(1H)-pyridinone
SMILES CC1=CC(=C(C(=O)N1)[N+](=O)[O-])C
Recommended Storage 20°C
Molecular Formula C7H8N2O3
IUPAC Name 4,6-dimethyl-3-nitro-1H-pyridin-2-one
Formula Weight 168.0535
4

2-Chloro-4-methyl-3-nitropyridine, TRC

CAS: 23056-39-5 Chemical Name or Material: 2-Chloro-4-methyl-3-nitropyridine Formula Weight: 172.004 InChI Formula: InChI=1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3 IUPAC Name: 2-chloro-4-methyl-3-nitropyridine Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.57 Recommended Storage: 4°C SMILES: Cc1ccnc(Cl)c1[N+](=O)[O-] Synonym: 2-Chloro-3-nitro-4-picoline,2-Chloro-3-nitro-4-methylpyridine,NSC 402977

CAS 23056-39-5
Molecular Weight (g/mol) 172.57
InChI Formula InChI=1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
Chemical Name or Material 2-Chloro-4-methyl-3-nitropyridine
Synonym 2-Chloro-3-nitro-4-picoline,2-Chloro-3-nitro-4-methylpyridine,NSC 402977
SMILES Cc1ccnc(Cl)c1[N+](=O)[O-]
Recommended Storage 4°C
Molecular Formula C6H5ClN2O2
IUPAC Name 2-chloro-4-methyl-3-nitropyridine
Formula Weight 172.004
5

5-Chloro-3-methyl-4-nitro-1H-pyrazole, TRC

CAS: 6814-58-0 Chemical Name or Material: Pyrazachlor Formula Weight: 160.9992 InChI Formula: InChI=1S/C4H4ClN3O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H,6,7) IUPAC Name: 5-chloro-3-methyl-4-nitro-1H-pyrazole Molecular Formula: C4 H4 Cl N3 O2 Molecular Weight (g/mol): 161.546 Recommended Storage: -20°C SMILES: Cc1n[nH]c(Cl)c1[N+](=O)[O-] Synonym: Pyrazachlor,Pyrazole, 3(or 5)-chloro-5(or 3)-methyl-4-nitro- (7CI),3-Chloro-5-methyl-4-nitro-1H-pyrazole,3-Chloro-4-nitro-5-methyl-1H-pyrazole,5-Chloro-3-methyl-4-nitro-1H-pyrazole,ABG 3030,CMN-Pyrazole,Release,1H-Pyrazole, 3-chloro-5-methyl-4-nitro-

CAS 6814-58-0
Molecular Weight (g/mol) 161.546
InChI Formula InChI=1S/C4H4ClN3O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H,6,7)
Chemical Name or Material Pyrazachlor
Synonym Pyrazachlor,Pyrazole, 3(or 5)-chloro-5(or 3)-methyl-4-nitro- (7CI),3-Chloro-5-methyl-4-nitro-1H-pyrazole,3-Chloro-4-nitro-5-methyl-1H-pyrazole,5-Chloro-3-methyl-4-nitro-1H-pyrazole,ABG 3030,CMN-Pyrazole,Release,1H-Pyrazole, 3-chloro-5-methyl-4-nitro-
SMILES Cc1n[nH]c(Cl)c1[N+](=O)[O-]
Recommended Storage -20°C
Molecular Formula C4 H4 Cl N3 O2
IUPAC Name 5-chloro-3-methyl-4-nitro-1H-pyrazole
Formula Weight 160.9992
7

Dimethyl N-Cyanodithioiminocarbonate, TRC

CAS: 10191-60-3 Chemical Name or Material: Dimethyl N-Cyanodithioiminocarbonate Formula Weight: 145.9972 InChI Formula: InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3 IUPAC Name: bis(methylsulfanyl)methylidenecyanamide Molecular Formula: C4H6N2S2 Molecular Weight (g/mol): 146.23 Recommended Storage: 4°C SMILES: CSC(=NC#N)SC Synonym: (Cyanimino)bis(methylthio)methane,(Cyanimino)dimethyldithiocarbonate,Cyanocarbonodithioimidic acid dimethyl ester,Dimethyl (N-cyano) carbonimidodithioate,Dimethyl N-cyanodithiocarbonimidate,Dimethyl N-cyanodithioimidocarbonate,Dimethyl N-cyanodithioiminocarbonate,Dimethyl N-cyanoimidodithiocarbonate,Dimethyl N-cyanoiminodithiocarbonate,Dimethyl cyanimidodithiocarbonate,Dimethyl cyanocarbonimidodithioate,Dimethyl cyanodithioimidocarbonate,Dimethyl cyanoimidodithiocarbonate,Dimethyl cyanoiminodithiocarbonate,N-Cyanoiminodithiocarbonic acid dimethyl ester,N-[Bis(methylthio)methylene]cyanamide,NSC 145987,S,S-Dimethyl (N-cyanoimido)dithiocarbonate,S,S-Dimethyl cyanoimidodithiocarbonate,S,S-Dimethyl cyanoiminodithiocarbamate,S,S'-Dimethyl N-cyanodithioiminocarbonate,S,S'-Dimethyl cyanodithioimidocarbonate

CAS 10191-60-3
Molecular Weight (g/mol) 146.23
InChI Formula InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3
Chemical Name or Material Dimethyl N-Cyanodithioiminocarbonate
Synonym (Cyanimino)bis(methylthio)methane,(Cyanimino)dimethyldithiocarbonate,Cyanocarbonodithioimidic acid dimethyl ester,Dimethyl (N-cyano) carbonimidodithioate,Dimethyl N-cyanodithiocarbonimidate,Dimethyl N-cyanodithioimidocarbonate,Dimethyl N-cyanodithioiminocarbonate,Dimethyl N-cyanoimidodithiocarbonate,Dimethyl N-cyanoiminodithiocarbonate,Dimethyl cyanimidodithiocarbonate,Dimethyl cyanocarbonimidodithioate,Dimethyl cyanodithioimidocarbonate,Dimethyl cyanoimidodithiocarbonate,Dimethyl cyanoiminodithiocarbonate,N-Cyanoiminodithiocarbonic acid dimethyl ester,N-[Bis(methylthio)methylene]cyanamide,NSC 145987,S,S-Dimethyl (N-cyanoimido)dithiocarbonate,S,S-Dimethyl cyanoimidodithiocarbonate,S,S-Dimethyl cyanoiminodithiocarbamate,S,S'-Dimethyl N-cyanodithioiminocarbonate,S,S'-Dimethyl cyanodithioimidocarbonate
SMILES CSC(=NC#N)SC
Recommended Storage 4°C
Molecular Formula C4H6N2S2
IUPAC Name bis(methylsulfanyl)methylidenecyanamide
Formula Weight 145.9972