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Nitrophenols

Organic compounds derived from phenols that contain a nitro functional group (-NO2).
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1
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3,5-Dinitrosalicylic acid, 98%

CAS: 609-99-4 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.12 MDL Number: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Synonym: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]

EDGE
PubChem CID 11873
CAS 609-99-4
Molecular Weight (g/mol) 228.12
ChEBI CHEBI:53648
MDL Number MFCD00007104
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
Synonym 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid
InChI Key LWFUFLREGJMOIZ-UHFFFAOYSA-N
Molecular Formula C7H4N2O7
2
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3,5-Dinitrosalicylic acid, 97+%

CAS: 609-99-4 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.116 MDL Number: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Synonym: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]

PubChem CID 11873
CAS 609-99-4
Molecular Weight (g/mol) 228.116
ChEBI CHEBI:53648
MDL Number MFCD00007104
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
Synonym 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid
InChI Key LWFUFLREGJMOIZ-UHFFFAOYSA-N
Molecular Formula C7H4N2O7
3

4-Hydroxy-3,5-dinitrobenzoic acid, 98+%

CAS: 1019-52-9 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.12 MDL Number: MFCD00017000 InChI Key: GBSWIDSKAJFWMF-UHFFFAOYSA-N Synonym: 3,5-dinitro-4-hydroxybenzoic acid,acmc-20anc3,4-hydroxy-3,5-dinitro-benzoic acid,#,benzoic acid,4-hydroxy-3,5-dinitro,4-hydroxy-3,5-dinitrobenzoic acid, 98+% PubChem CID: 70552 IUPAC Name: 4-hydroxy-3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 70552
CAS 1019-52-9
Molecular Weight (g/mol) 228.12
MDL Number MFCD00017000
SMILES OC(=O)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 3,5-dinitro-4-hydroxybenzoic acid,acmc-20anc3,4-hydroxy-3,5-dinitro-benzoic acid,#,benzoic acid,4-hydroxy-3,5-dinitro,4-hydroxy-3,5-dinitrobenzoic acid, 98+%
IUPAC Name 4-hydroxy-3,5-dinitrobenzoic acid
InChI Key GBSWIDSKAJFWMF-UHFFFAOYSA-N
Molecular Formula C7H4N2O7
4

4-Fluoro-2,6-dinitrophenol, 98%

CAS: 364-32-9 Molecular Formula: C6H3FN2O5 Molecular Weight (g/mol): 202.10 MDL Number: MFCD00179333 InChI Key: MDOWEUXXLVBZIU-UHFFFAOYSA-N Synonym: 4-fluoro-2,6-dinitrophenol,2,6-dinitro-4-fluorophenol,phenol, 4-fluoro-2,6-dinitro,acmc-20ao7v,phenol, 2,6-dinitro-4-fluoro-, PubChem CID: 94951 IUPAC Name: 4-fluoro-2,6-dinitrophenol SMILES: OC1=C(C=C(F)C=C1[N+]([O-])=O)[N+]([O-])=O

PubChem CID 94951
CAS 364-32-9
Molecular Weight (g/mol) 202.10
MDL Number MFCD00179333
SMILES OC1=C(C=C(F)C=C1[N+]([O-])=O)[N+]([O-])=O
Synonym 4-fluoro-2,6-dinitrophenol,2,6-dinitro-4-fluorophenol,phenol, 4-fluoro-2,6-dinitro,acmc-20ao7v,phenol, 2,6-dinitro-4-fluoro-,
IUPAC Name 4-fluoro-2,6-dinitrophenol
InChI Key MDOWEUXXLVBZIU-UHFFFAOYSA-N
Molecular Formula C6H3FN2O5
5

3,5-Dinitrosalicylaldehyde, 98%

CAS: 2460-59-5 Molecular Formula: C7H3N2O6 Molecular Weight (g/mol): 211.11 MDL Number: MFCD00007103 InChI Key: FLJXIBHYDIMYRS-UHFFFAOYSA-M PubChem CID: 75571 IUPAC Name: 2-formyl-4,6-dinitrobenzen-1-olate SMILES: [O-]C1=C(C=O)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O

PubChem CID 75571
CAS 2460-59-5
Molecular Weight (g/mol) 211.11
MDL Number MFCD00007103
SMILES [O-]C1=C(C=O)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O
IUPAC Name 2-formyl-4,6-dinitrobenzen-1-olate
InChI Key FLJXIBHYDIMYRS-UHFFFAOYSA-M
Molecular Formula C7H3N2O6
6

4-tert-Butyl-2,6-dinitrophenol, 97%

CAS: 4097-49-8 Molecular Formula: C10H12N2O5 Molecular Weight (g/mol): 240.22 MDL Number: MFCD00051969 InChI Key: NJBDTWSOYUZQPM-UHFFFAOYSA-N Synonym: 4-tert-butyl-2,6-dinitrophenol,2,6-dinitro-4-tert-butylphenol,unii-m5s512rl03,phenol, 4-1,1-dimethylethyl-2,6-dinitro,2,6-dinitro-p-tert-butyl phenol,phenol, 4-tert-butyl-2,6-dinitro,acmc-1am7s,2,6-dinitro-4-t-butylphenol,4-t-butyl-2,6-dinitrophenol PubChem CID: 20042 IUPAC Name: 4-tert-butyl-2,6-dinitrophenol SMILES: CC(C)(C)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 20042
CAS 4097-49-8
Molecular Weight (g/mol) 240.22
MDL Number MFCD00051969
SMILES CC(C)(C)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 4-tert-butyl-2,6-dinitrophenol,2,6-dinitro-4-tert-butylphenol,unii-m5s512rl03,phenol, 4-1,1-dimethylethyl-2,6-dinitro,2,6-dinitro-p-tert-butyl phenol,phenol, 4-tert-butyl-2,6-dinitro,acmc-1am7s,2,6-dinitro-4-t-butylphenol,4-t-butyl-2,6-dinitrophenol
IUPAC Name 4-tert-butyl-2,6-dinitrophenol
InChI Key NJBDTWSOYUZQPM-UHFFFAOYSA-N
Molecular Formula C10H12N2O5
7

Dinosam, TRC

CAS: 4097-36-3 Molecular Formula: C11 H14 N2 O5 Molecular Weight (g/mol): 254.2393 Synonym: 2-(1-Methylbutyl)-4,6-dinitrophenol,2,4-Dinitro-6-(1-methylbutyl)phenol,2,4-Dinitro-6-(pentan-2-yl)phenol,2-(1-Methyl-n-butyl)-4,6-dinitrophenol,2-(2-Hydroxy-3,5-dinitrophenyl)pentane,2-sec-Amyl-4,6-dinitrophenol,Chemox General,DNAP,DNOSAP,Dinosam,NSC 21493 IUPAC Name: 2,4-dinitro-6-pentan-2-ylphenol SMILES: CCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]

CAS 4097-36-3
Molecular Weight (g/mol) 254.2393
SMILES CCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
Synonym 2-(1-Methylbutyl)-4,6-dinitrophenol,2,4-Dinitro-6-(1-methylbutyl)phenol,2,4-Dinitro-6-(pentan-2-yl)phenol,2-(1-Methyl-n-butyl)-4,6-dinitrophenol,2-(2-Hydroxy-3,5-dinitrophenyl)pentane,2-sec-Amyl-4,6-dinitrophenol,Chemox General,DNAP,DNOSAP,Dinosam,NSC 21493
IUPAC Name 2,4-dinitro-6-pentan-2-ylphenol
Molecular Formula C11 H14 N2 O5
8

3,5-Dinitrosalicylic Acid, TRC

CAS: 609-99-4 Molecular Formula: C7 H4 N2 O7 Molecular Weight (g/mol): 228.12 Synonym: 3,5-Dinitrosalicylate,3,5-Dinitro-2-hydroxybenzoic acid IUPAC Name: 2-hydroxy-3,5-dinitrobenzoic acid SMILES: OC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]

CAS 609-99-4
Molecular Weight (g/mol) 228.12
SMILES OC(=O)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
Synonym 3,5-Dinitrosalicylate,3,5-Dinitro-2-hydroxybenzoic acid
IUPAC Name 2-hydroxy-3,5-dinitrobenzoic acid
Molecular Formula C7 H4 N2 O7
9

2,4-Dinitro-6-(1-methylheptyl)phenol, TRC

CAS: 3687-22-7 Molecular Formula: C14 H20 N2 O5 Molecular Weight (g/mol): 296.32 Synonym: 2-(1-Methylheptyl)-4,6-dinitrophenol,2,4-DNOP,2,4-Dinitro-6-(1-methylheptyl)phenol,2,4-Dinitro-6-(1'-methylheptyl)phenol,2-(2-Hydroxy-3,5-dinitrophenyl)octane,DNOP,Meptyldinocap-phenol IUPAC Name: 2,4-dinitro-6-octan-2-ylphenol SMILES: CCCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]

CAS 3687-22-7
Molecular Weight (g/mol) 296.32
SMILES CCCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
Synonym 2-(1-Methylheptyl)-4,6-dinitrophenol,2,4-DNOP,2,4-Dinitro-6-(1-methylheptyl)phenol,2,4-Dinitro-6-(1'-methylheptyl)phenol,2-(2-Hydroxy-3,5-dinitrophenyl)octane,DNOP,Meptyldinocap-phenol
IUPAC Name 2,4-dinitro-6-octan-2-ylphenol
Molecular Formula C14 H20 N2 O5
10

Nifursol (~90%), TRC

CAS: 16915-70-1 Molecular Formula: C12 H7 N5 O9 Molecular Weight (g/mol): 365.21 Synonym: 2-Hydroxy-3,5-dinitrobenzoic acid 2-[(5-nitro-2-furanyl)methylene]hydrazide,2-Hydroxy-3,5-dinitrobenzoic acid [(5-nitro-2-furanyl)methylene]hydrazide,3,5-Dinitrosalicylic acid (5-nitrofurfurylidene)hydrazide,Histomon,Nifursol,Salfuride,Sulfuride IUPAC Name: 2-hydroxy-3,5-dinitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide SMILES: Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-]

CAS 16915-70-1
Molecular Weight (g/mol) 365.21
SMILES Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N\N=C\c2oc(cc2)[N+](=O)[O-]
Synonym 2-Hydroxy-3,5-dinitrobenzoic acid 2-[(5-nitro-2-furanyl)methylene]hydrazide,2-Hydroxy-3,5-dinitrobenzoic acid [(5-nitro-2-furanyl)methylene]hydrazide,3,5-Dinitrosalicylic acid (5-nitrofurfurylidene)hydrazide,Histomon,Nifursol,Salfuride,Sulfuride
IUPAC Name 2-hydroxy-3,5-dinitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Molecular Formula C12 H7 N5 O9
11

4-Nitrophenol Sodium Salt Dihydrate, TRC

CAS: 66924-59-2 Molecular Formula: C6H4NNaO3 . 2(H2O) Molecular Weight (g/mol): 161.09 Synonym: Sodium p-Nitrophenolate Dihydrate,4-Nitro-phenol Sodium Salt Dihydrate IUPAC Name: sodium;4-nitrophenolate;dihydrate SMILES: O.O.[Na+].[O-]c1ccc(cc1)[N+](=O)[O-]

CAS 66924-59-2
Molecular Weight (g/mol) 161.09
SMILES O.O.[Na+].[O-]c1ccc(cc1)[N+](=O)[O-]
Synonym Sodium p-Nitrophenolate Dihydrate,4-Nitro-phenol Sodium Salt Dihydrate
IUPAC Name sodium;4-nitrophenolate;dihydrate
Molecular Formula C6H4NNaO3 . 2(H2O)
12

4-Hydroxy-3,5-dinitrophenylacetic acid, 97%, Thermo Scientific™

CAS: 10463-37-3 Molecular Formula: C8H6N2O7 Molecular Weight (g/mol): 242.143 MDL Number: MFCD00016995 InChI Key: MLVYQQLUGFSXQH-UHFFFAOYSA-N Synonym: 3,5-dinitro-4-hydroxyphenylacetic acid,4-hydroxy-3,5-dinitrophenyl acetic acid,4-hydroxy-3,5-dinitrophenylacetic acid,3,5-dinitro-4-hydroxyphenacetic acid,4-hydroxy-3,5-dinitro-phenyl-acetic acid,2-4-hydroxy-3,5-dinitrophenyl acetic acid,4-hydroxy-3,5-dinitrobenzeneacetic acid,4-hydroxy-3,5-dinitrophenacetyl,acmc-20anc2,3,5-dinitro-4-hydroxyphenyl-acetic acid PubChem CID: 98596 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)O

PubChem CID 98596
CAS 10463-37-3
Molecular Weight (g/mol) 242.143
MDL Number MFCD00016995
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)O
Synonym 3,5-dinitro-4-hydroxyphenylacetic acid,4-hydroxy-3,5-dinitrophenyl acetic acid,4-hydroxy-3,5-dinitrophenylacetic acid,3,5-dinitro-4-hydroxyphenacetic acid,4-hydroxy-3,5-dinitro-phenyl-acetic acid,2-4-hydroxy-3,5-dinitrophenyl acetic acid,4-hydroxy-3,5-dinitrobenzeneacetic acid,4-hydroxy-3,5-dinitrophenacetyl,acmc-20anc2,3,5-dinitro-4-hydroxyphenyl-acetic acid
InChI Key MLVYQQLUGFSXQH-UHFFFAOYSA-N
Molecular Formula C8H6N2O7