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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (1,018)
Phenols (189)
Naphthalenes (35)
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Indanes (3)
Phenol esters (2)
Pentacenequinones (1)
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1

Thermo Scientific Chemicals 5-Sulfosalicylic acid dihydrate, 99+%

CAS: 5965-83-3 | C9H14O6S | 250.27 g/mol

Molecular Weight (g/mol) 250.27
CAS Min % 99.0
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
PubChem CID 2723734
Name Note p.a.
Percent Purity 99+%
Fieser 01,1118
Infrared Spectrum Authentic
Formula Weight 254.22
Melting Point 106.0°C to 110.0°C
CAS Max % 100.0
Color White
Physical Form Crystalline Powder
Chemical Name or Material 5-Sulfosalicylic acid dihydrate
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Merck Index 15, 9094
Assay Percent Range 99+%
CAS 97-05-2
Health Hazard 3 GHS P Statement
IF SWALLOWED: rinse mouth.
Do NOT induce vomiting.
Wear protective gloves/protective clothing/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if pre
MDL Number MFCD00007508,MFCD00149540
Health Hazard 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Solubility Information Solubility in water: 127g/L (20°C). Other solubilities: soluble in alcohol and ether
Packaging Plastic bottle
Health Hazard 1 GHS Signal Word: Danger
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
Beilstein 11, 411
Molecular Formula C9H14O6S
2

5-Sulfosalicylic acid dihydrate, ACS, 99+%

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid;dihydrate SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

PubChem CID 2723734
CAS 5965-83-3
Molecular Weight (g/mol) 250.27
MDL Number MFCD00007508,MFCD00149540
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
IUPAC Name 2-hydroxy-5-sulfobenzoic acid;dihydrate
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
3

2-Chloro-5-nitrobenzoic Acid, 99+%

CAS: 2516-96-3 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

PubChem CID 17287
CAS 2516-96-3
Molecular Weight (g/mol) 201.56
MDL Number MFCD00007294
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
4

Methyl 5-iodosalicylate, 99%

CAS: 4068-75-1 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD00016462 InChI Key: NRSWJTRJHPRZMH-UHFFFAOYSA-N PubChem CID: 248910 IUPAC Name: methyl 2-hydroxy-5-iodobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)I)O

PubChem CID 248910
CAS 4068-75-1
Molecular Weight (g/mol) 278.045
MDL Number MFCD00016462
SMILES COC(=O)C1=C(C=CC(=C1)I)O
IUPAC Name methyl 2-hydroxy-5-iodobenzoate
InChI Key NRSWJTRJHPRZMH-UHFFFAOYSA-N
Molecular Formula C8H7IO3
5

5-Aminosalicylic acid, 99%

CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O

PubChem CID 4075
CAS 89-57-6
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:6775
MDL Number MFCD00007877
SMILES C1=CC(=C(C=C1N)C(=O)O)O
Synonym 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa
IUPAC Name 5-amino-2-hydroxybenzoic acid
InChI Key KBOPZPXVLCULAV-UHFFFAOYSA-N
Molecular Formula C7H7NO3
6

5-Nitrosalicylic acid, 99%

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

PubChem CID 7318
CAS 96-97-9
Molecular Weight (g/mol) 183.12
ChEBI CHEBI:61281
MDL Number MFCD00007338
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
Synonym 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid
InChI Key PPDRLQLKHRZIJC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
7

Dimethyl 5-hydroxyisophthalate, 99%

CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

PubChem CID 83065
CAS 13036-02-7
Molecular Weight (g/mol) 210.19
MDL Number MFCD00134367
SMILES COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
InChI Key DOSDTCPDBPRFHQ-UHFFFAOYSA-N
Molecular Formula C10H10O5
8

2-Methyl-5-nitrobenzoic acid, 99+%, Thermo Scientific™

CAS: 1975-52-6 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007371 InChI Key: DJRFJAVPROZZFL-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244 PubChem CID: 519683 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

PubChem CID 519683
CAS 1975-52-6
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007371
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym 2-methyl-5-nitrobenzoic acid,5-nitro-o-toluic acid,benzoic acid, 2-methyl-5-nitro,2-methyl-5-nitro-benzoic acid,5-nitro-2-methylbenzoic acid,rarechem al bo 0285,5-nitro-2-methyl benzoic acid,2-methyl-5-nitro benzoic acid,pubchem2244
InChI Key DJRFJAVPROZZFL-UHFFFAOYSA-N
Molecular Formula C8H7NO4
9

5-Hydroxy-1,4-naphthoquinone, 99%

CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxynaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O

PubChem CID 3806
CAS 481-39-0
Molecular Weight (g/mol) 174.16
ChEBI CHEBI:15794
MDL Number MFCD00001684
SMILES OC1=CC=CC2=C1C(=O)C=CC2=O
Synonym juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon
IUPAC Name 5-hydroxynaphthalene-1,4-dione
InChI Key KQPYUDDGWXQXHS-UHFFFAOYSA-N
Molecular Formula C10H6O3
10

2-Fluoro-5-methylbenzonitrile, 99%

CAS: 64113-84-4 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD00134542 InChI Key: CMAOLVNGLTWICC-UHFFFAOYSA-N Synonym: 6-fluoro-m-tolunitrile,benzonitrile, 2-fluoro-5-methyl,2-fluoro-5-methyl-benzonitrile,3-cyano-4-fluorotoluene,2-fluoro-5-methylbenzenecarbonitrile,pubchem1552,acmc-209nk8,ksc352m4h,2-fluoro-5 methyl benzonitrile,2-fluoro-5-methyl benzonitrile PubChem CID: 2774584 IUPAC Name: 2-fluoro-5-methylbenzonitrile SMILES: CC1=CC(=C(C=C1)F)C#N

PubChem CID 2774584
CAS 64113-84-4
Molecular Weight (g/mol) 135.141
MDL Number MFCD00134542
SMILES CC1=CC(=C(C=C1)F)C#N
Synonym 6-fluoro-m-tolunitrile,benzonitrile, 2-fluoro-5-methyl,2-fluoro-5-methyl-benzonitrile,3-cyano-4-fluorotoluene,2-fluoro-5-methylbenzenecarbonitrile,pubchem1552,acmc-209nk8,ksc352m4h,2-fluoro-5 methyl benzonitrile,2-fluoro-5-methyl benzonitrile
IUPAC Name 2-fluoro-5-methylbenzonitrile
InChI Key CMAOLVNGLTWICC-UHFFFAOYSA-N
Molecular Formula C8H6FN
11

5-Hydroxy-1-tetralone, 99%

CAS: 28315-93-7 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00001693 InChI Key: YPPZCRZRQHFRBH-UHFFFAOYSA-N Synonym: 5-hydroxy-1-tetralone,1-tetralon-5-ol,5-hydroxy-3,4-dihydronaphthalen-1 2h-one,5-hydroy-1-tetraione,1 2h-naphthalenone, 3,4-dihydro-5-hydroxy,5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one,5-hydroxytetralone,3,4-dihydro-5-hydroxy-1 2h-naphthalenone,1,2,3,4-tetrahydro-5-hydroxynaphthalen-1-one,5-hydroxy-2,3,4-trihydronaphthalen-1-one PubChem CID: 119921 IUPAC Name: 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one SMILES: C1CC2=C(C=CC=C2O)C(=O)C1

PubChem CID 119921
CAS 28315-93-7
Molecular Weight (g/mol) 162.188
MDL Number MFCD00001693
SMILES C1CC2=C(C=CC=C2O)C(=O)C1
Synonym 5-hydroxy-1-tetralone,1-tetralon-5-ol,5-hydroxy-3,4-dihydronaphthalen-1 2h-one,5-hydroy-1-tetraione,1 2h-naphthalenone, 3,4-dihydro-5-hydroxy,5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one,5-hydroxytetralone,3,4-dihydro-5-hydroxy-1 2h-naphthalenone,1,2,3,4-tetrahydro-5-hydroxynaphthalen-1-one,5-hydroxy-2,3,4-trihydronaphthalen-1-one
IUPAC Name 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
InChI Key YPPZCRZRQHFRBH-UHFFFAOYSA-N
Molecular Formula C10H10O2
12

5-Fluoro-2-methylaniline, 99%

CAS: 367-29-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007764 InChI Key: JLCDTNNLXUMYFQ-UHFFFAOYSA-N Synonym: 2-amino-4-fluorotoluene,5-fluoro-o-toluidine,3-fluoro-6-methylaniline,2-methyl-5-fluoroaniline,benzenamine, 5-fluoro-2-methyl,5-fluoro-2-methyl-phenylamine,5-fluoro-2-methyl-aniline,5-fluoro-2-methylphenylamine,5-fluor-2-methylanilin PubChem CID: 67774 IUPAC Name: 5-fluoro-2-methylaniline SMILES: CC1=CC=C(F)C=C1N

PubChem CID 67774
CAS 367-29-3
Molecular Weight (g/mol) 125.15
MDL Number MFCD00007764
SMILES CC1=CC=C(F)C=C1N
Synonym 2-amino-4-fluorotoluene,5-fluoro-o-toluidine,3-fluoro-6-methylaniline,2-methyl-5-fluoroaniline,benzenamine, 5-fluoro-2-methyl,5-fluoro-2-methyl-phenylamine,5-fluoro-2-methyl-aniline,5-fluoro-2-methylphenylamine,5-fluor-2-methylanilin
IUPAC Name 5-fluoro-2-methylaniline
InChI Key JLCDTNNLXUMYFQ-UHFFFAOYSA-N
Molecular Formula C7H8FN
13

2-Fluoro-5-formylbenzonitrile, 99%

CAS: 218301-22-5 Molecular Formula: C8H4FNO Molecular Weight (g/mol): 149.12 MDL Number: MFCD01863558 InChI Key: MOFRJTLODZILCR-UHFFFAOYSA-N Synonym: 3-cyano-4-fluorobenzaldehyde,4-fluoro-3-cyanobenzaldehyde,2-fluoro-5-formyl-benzonitrile,benzonitrile, 2-fluoro-5-formyl,2-fluoro-5-formylbenzenecarbonitrile,2-fluor-5-formylbenzonitrile,10014 2-fluoro-5-formyl benzonitrile,pubchem2252,acmc-1cfa9,fluoro-5-formylbenzonitrile PubChem CID: 2769582 IUPAC Name: 2-fluoro-5-formylbenzonitrile SMILES: C1=CC(=C(C=C1C=O)C#N)F

PubChem CID 2769582
CAS 218301-22-5
Molecular Weight (g/mol) 149.12
MDL Number MFCD01863558
SMILES C1=CC(=C(C=C1C=O)C#N)F
Synonym 3-cyano-4-fluorobenzaldehyde,4-fluoro-3-cyanobenzaldehyde,2-fluoro-5-formyl-benzonitrile,benzonitrile, 2-fluoro-5-formyl,2-fluoro-5-formylbenzenecarbonitrile,2-fluor-5-formylbenzonitrile,10014 2-fluoro-5-formyl benzonitrile,pubchem2252,acmc-1cfa9,fluoro-5-formylbenzonitrile
IUPAC Name 2-fluoro-5-formylbenzonitrile
InChI Key MOFRJTLODZILCR-UHFFFAOYSA-N
Molecular Formula C8H4FNO
14

5-Bromo-2-anisaldehyde, 99%

CAS: 25016-01-7 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00003347 InChI Key: IJIBRSFAXRFPPN-UHFFFAOYSA-N Synonym: 5-bromo-2-anisaldehyde,5-bromo-o-anisaldehyde,2-methoxy-5-bromobenzaldehyde,benzaldehyde, 5-bromo-2-methoxy,5-bromo-2-methoxy-benzaldehyde,pubchem2644,acmc-209ggg,intermediates-zcf02672,o-anisaldehyde, 5-bromo,ksc494q2j PubChem CID: 90684 IUPAC Name: 5-bromo-2-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)Br)C=O

PubChem CID 90684
CAS 25016-01-7
Molecular Weight (g/mol) 215.05
MDL Number MFCD00003347
SMILES COC1=C(C=C(C=C1)Br)C=O
Synonym 5-bromo-2-anisaldehyde,5-bromo-o-anisaldehyde,2-methoxy-5-bromobenzaldehyde,benzaldehyde, 5-bromo-2-methoxy,5-bromo-2-methoxy-benzaldehyde,pubchem2644,acmc-209ggg,intermediates-zcf02672,o-anisaldehyde, 5-bromo,ksc494q2j
IUPAC Name 5-bromo-2-methoxybenzaldehyde
InChI Key IJIBRSFAXRFPPN-UHFFFAOYSA-N
Molecular Formula C8H7BrO2
15

1,3-Dichloro-5-iodobenzene, 99%

CAS: 3032-81-3 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.89 MDL Number: MFCD00001047 InChI Key: AATPRMRVLQZEHB-UHFFFAOYSA-N Synonym: 3,5-dichloroiodobenzene,3,5-dichlorophenyl iodide,benzene, 1,3-dichloro-5-iodo,1,3-dichloro-5-iodo-benzene,3,5-dichloro-1-iodobenzene,pubchem3693,acmc-209hev,3,5-dichloro iodobenzene,3,5-dichloro-iodobenzene,3,5-dichloro-iodo-benzene PubChem CID: 76424 IUPAC Name: 1,3-dichloro-5-iodobenzene SMILES: ClC1=CC(I)=CC(Cl)=C1

PubChem CID 76424
CAS 3032-81-3
Molecular Weight (g/mol) 272.89
MDL Number MFCD00001047
SMILES ClC1=CC(I)=CC(Cl)=C1
Synonym 3,5-dichloroiodobenzene,3,5-dichlorophenyl iodide,benzene, 1,3-dichloro-5-iodo,1,3-dichloro-5-iodo-benzene,3,5-dichloro-1-iodobenzene,pubchem3693,acmc-209hev,3,5-dichloro iodobenzene,3,5-dichloro-iodobenzene,3,5-dichloro-iodo-benzene
IUPAC Name 1,3-dichloro-5-iodobenzene
InChI Key AATPRMRVLQZEHB-UHFFFAOYSA-N
Molecular Formula C6H3Cl2I