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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Hydroxybenzoic Acid Derivatives (20,669)
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4,996 – 5,010 of 69,577 results
4,996

2,2'-Sulfonylbis(4-tert-octylphenol) 96.0+%, TCI America™

CAS: 15452-89-8 Molecular Formula: C28H42O4S Molecular Weight (g/mol): 474.7 MDL Number: MFCD00026328 InChI Key: LMTGYJHIOQZSAA-UHFFFAOYSA-N Synonym: Bis(2-hydroxy-5-tert-octylphenyl) Sulfone, Bis[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl] Sulfone PubChem CID: 84923 IUPAC Name: 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O

PubChem CID 84923
CAS 15452-89-8
Molecular Weight (g/mol) 474.7
MDL Number MFCD00026328
SMILES CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O
Synonym Bis(2-hydroxy-5-tert-octylphenyl) Sulfone, Bis[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl] Sulfone
IUPAC Name 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI Key LMTGYJHIOQZSAA-UHFFFAOYSA-N
Molecular Formula C28H42O4S
4,997

2-Nitroisophthalic Acid 95.0+%, TCI America™

CAS: 21161-11-5 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00017007 InChI Key: CAHWDGJDQYAFHM-UHFFFAOYSA-N PubChem CID: 88806 SMILES: C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 88806
CAS 21161-11-5
Molecular Weight (g/mol) 211.129
MDL Number MFCD00017007
SMILES C1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])C(=O)O
InChI Key CAHWDGJDQYAFHM-UHFFFAOYSA-N
Molecular Formula C8H5NO6
4,998

Nitroterephthalic Acid 98.0+%, TCI America™

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 69122
CAS 610-29-7
Molecular Weight (g/mol) 211.129
MDL Number MFCD00007141
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula C8H5NO6
4,999

5-Nitrosalicylic Acid 98.0+%, TCI America™

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 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) 183.119
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
5,000

Ethyl 4-Nitrobenzoate 98.0+%, TCI America™

CAS: 99-77-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate PubChem CID: 7457 IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

PubChem CID 7457
CAS 99-77-4
Molecular Weight (g/mol) 195.174
MDL Number MFCD00007351
SMILES CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Synonym ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate
IUPAC Name ethyl 4-nitrobenzoate
InChI Key PHWSCBWNPZDYRI-UHFFFAOYSA-N
Molecular Formula C9H9NO4
5,001

Phenyl Trifluoromethyl Sulfone 98.0+%, TCI America™

CAS: 426-58-4 Molecular Formula: C7H5F3O2S Molecular Weight (g/mol): 210.17 MDL Number: MFCD00159083 InChI Key: UPGBQYFXKAKWQC-UHFFFAOYSA-N PubChem CID: 555605 IUPAC Name: trifluoromethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F

PubChem CID 555605
CAS 426-58-4
Molecular Weight (g/mol) 210.17
MDL Number MFCD00159083
SMILES C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F
IUPAC Name trifluoromethylsulfonylbenzene
InChI Key UPGBQYFXKAKWQC-UHFFFAOYSA-N
Molecular Formula C7H5F3O2S
5,002

Tribromomethyl Phenyl Sulfone 97.0+%, TCI America™

CAS: 17025-47-7 Molecular Formula: C7H5Br3O2S Molecular Weight (g/mol): 392.887 MDL Number: MFCD00060068 InChI Key: DWWMSEANWMWMCB-UHFFFAOYSA-N Synonym: Phenyl Tribromomethyl Sulfone PubChem CID: 86912 IUPAC Name: tribromomethylsulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br

PubChem CID 86912
CAS 17025-47-7
Molecular Weight (g/mol) 392.887
MDL Number MFCD00060068
SMILES C1=CC=C(C=C1)S(=O)(=O)C(Br)(Br)Br
Synonym Phenyl Tribromomethyl Sulfone
IUPAC Name tribromomethylsulfonylbenzene
InChI Key DWWMSEANWMWMCB-UHFFFAOYSA-N
Molecular Formula C7H5Br3O2S
5,003

Ethyl Phenylsulfonylacetate 98.0+%, TCI America™

CAS: 7605-30-3 Molecular Formula: C10H12O4S Molecular Weight (g/mol): 228.262 MDL Number: MFCD00025041 InChI Key: NJBWORPRIRNTLH-UHFFFAOYSA-N Synonym: Phenylsulfonylacetic Acid Ethyl Ester PubChem CID: 82078 IUPAC Name: ethyl 2-(benzenesulfonyl)acetate SMILES: CCOC(=O)CS(=O)(=O)C1=CC=CC=C1

PubChem CID 82078
CAS 7605-30-3
Molecular Weight (g/mol) 228.262
MDL Number MFCD00025041
SMILES CCOC(=O)CS(=O)(=O)C1=CC=CC=C1
Synonym Phenylsulfonylacetic Acid Ethyl Ester
IUPAC Name ethyl 2-(benzenesulfonyl)acetate
InChI Key NJBWORPRIRNTLH-UHFFFAOYSA-N
Molecular Formula C10H12O4S
5,004

Pararosaniline Hydrochloride 95.0+%, TCI America™

CAS: 569-61-9 Molecular Formula: C19H18ClN3 Molecular Weight (g/mol): 323.824 MDL Number: MFCD00001657 InChI Key: JUQPZRLQQYSMEQ-UHFFFAOYSA-N Synonym: basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin PubChem CID: 11292 ChEBI: CHEBI:87663 IUPAC Name: 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl

PubChem CID 11292
CAS 569-61-9
Molecular Weight (g/mol) 323.824
ChEBI CHEBI:87663
MDL Number MFCD00001657
SMILES C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl
Synonym basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin
IUPAC Name 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
InChI Key JUQPZRLQQYSMEQ-UHFFFAOYSA-N
Molecular Formula C19H18ClN3
5,005

4-(trans-4-Propylcyclohexyl)phenol 98.0+%, TCI America™

CAS: 81936-33-6 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00673751 InChI Key: AHAZEMSUUYFDMM-UHFFFAOYSA-N Synonym: 1-Hydroxy-4-(trans-4-propylcyclohexyl)benzene PubChem CID: 3126231 IUPAC Name: 4-(4-propylcyclohexyl)phenol SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)O

PubChem CID 3126231
CAS 81936-33-6
Molecular Weight (g/mol) 218.34
MDL Number MFCD00673751
SMILES CCCC1CCC(CC1)C2=CC=C(C=C2)O
Synonym 1-Hydroxy-4-(trans-4-propylcyclohexyl)benzene
IUPAC Name 4-(4-propylcyclohexyl)phenol
InChI Key AHAZEMSUUYFDMM-UHFFFAOYSA-N
Molecular Formula C15H22O
5,006

2,4,6-Trimethoxybenzoic Acid 98.0+%, TCI America™

CAS: 570-02-5 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.20 MDL Number: MFCD00016497 InChI Key: JATAKEDDMQNPOQ-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trimethoxy,2,4,6-trimethoxy-benzoic acid,pubchem13726,acmc-1awjz,ksc495i9p,2,4,6-trimethoxy benzoic acid PubChem CID: 68441 IUPAC Name: 2,4,6-trimethoxybenzoic acid SMILES: COC1=CC(OC)=C(C(O)=O)C(OC)=C1

PubChem CID 68441
CAS 570-02-5
Molecular Weight (g/mol) 212.20
MDL Number MFCD00016497
SMILES COC1=CC(OC)=C(C(O)=O)C(OC)=C1
Synonym benzoic acid, 2,4,6-trimethoxy,2,4,6-trimethoxy-benzoic acid,pubchem13726,acmc-1awjz,ksc495i9p,2,4,6-trimethoxy benzoic acid
IUPAC Name 2,4,6-trimethoxybenzoic acid
InChI Key JATAKEDDMQNPOQ-UHFFFAOYSA-N
Molecular Formula C10H12O5
5,007

2,4,5-Trimethoxybenzoic Acid 98.0+%, TCI America™

CAS: 490-64-2 Molecular Formula: C10H11O5 Molecular Weight (g/mol): 211.19 MDL Number: MFCD00002435 InChI Key: KVZUCOGWKYOPID-UHFFFAOYSA-M Synonym: asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid PubChem CID: 10276 IUPAC Name: 2,4,5-trimethoxybenzoate SMILES: COC1=CC(OC)=C(C=C1OC)C([O-])=O

PubChem CID 10276
CAS 490-64-2
Molecular Weight (g/mol) 211.19
MDL Number MFCD00002435
SMILES COC1=CC(OC)=C(C=C1OC)C([O-])=O
Synonym asaronic acid,benzoic acid, 2,4,5-trimethoxy,asarylic acid,calamonic acid,acmc-209ket,2,4,5-trimethoxybenzoicacid,ksc489o7d,2,4,5-trimethoxy-benzoic acid,2,4,5-trimethoxybenzoic acid,alpha-hydroxyphenylacetic acid; amygdalic acid; alpha-hydroxyphenylacetic acid; alpha-hydroxy-benzeneacetic acid
IUPAC Name 2,4,5-trimethoxybenzoate
InChI Key KVZUCOGWKYOPID-UHFFFAOYSA-M
Molecular Formula C10H11O5
5,008

2,4,5-Trifluoro-3-methoxybenzoic Acid 98.0+%, TCI America™

CAS: 112811-65-1 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD00153201 InChI Key: YVJHZWWMKFQKDC-UHFFFAOYSA-N Synonym: 3-methoxy-2,4,5-trifluorobenzoic acid,2,4,5-trifluoro-m-anisic acid,2,4,5-trifluoro-3-methoxy benzoic acid,2,4,5-trifluoro-3-methoxy-benzoic acid,benzoic acid, 2,4,5-trifluoro-3-methoxy,pubchem1352,pubchem2237,acmc-1bt5z,ksc181i7h,3-methoxy-2,4,5-triflourobenzoic acid PubChem CID: 2733970 IUPAC Name: 2,4,5-trifluoro-3-methoxybenzoic acid SMILES: COC1=C(C(=CC(=C1F)F)C(=O)O)F

PubChem CID 2733970
CAS 112811-65-1
Molecular Weight (g/mol) 206.12
MDL Number MFCD00153201
SMILES COC1=C(C(=CC(=C1F)F)C(=O)O)F
Synonym 3-methoxy-2,4,5-trifluorobenzoic acid,2,4,5-trifluoro-m-anisic acid,2,4,5-trifluoro-3-methoxy benzoic acid,2,4,5-trifluoro-3-methoxy-benzoic acid,benzoic acid, 2,4,5-trifluoro-3-methoxy,pubchem1352,pubchem2237,acmc-1bt5z,ksc181i7h,3-methoxy-2,4,5-triflourobenzoic acid
IUPAC Name 2,4,5-trifluoro-3-methoxybenzoic acid
InChI Key YVJHZWWMKFQKDC-UHFFFAOYSA-N
Molecular Formula C8H5F3O3
5,009

2-Isonitrosopropiophenone 98.0+%, TCI America™

CAS: 119-51-7 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00002115 InChI Key: YPINLRNGSGGJJT-JXMROGBWSA-N Synonym: 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone PubChem CID: 9566063 IUPAC Name: (2E)-2-(N-hydroxyimino)-1-phenylpropan-1-one SMILES: C\C(=N/O)C(=O)C1=CC=CC=C1

PubChem CID 9566063
CAS 119-51-7
Molecular Weight (g/mol) 163.18
MDL Number MFCD00002115
SMILES C\C(=N/O)C(=O)C1=CC=CC=C1
Synonym 1-phenyl-1,2-propanedione-2-oxime,2-hydroxyimino propiophenone,isonitrosopropiophenone,2-hydroxyiminopropiophenone,2-hydroxyimino-1-phenylpropan-1-one,propiophenone, isonitroso,2-isonitrosopropiophenone,alpha-oximinopropiophenone,1-phenyl-1,2-propanedione 2-oxime,.alpha.-oximinopropiophenone
IUPAC Name (2E)-2-(N-hydroxyimino)-1-phenylpropan-1-one
InChI Key YPINLRNGSGGJJT-JXMROGBWSA-N
Molecular Formula C9H9NO2
5,010

Polyethylene Glycol Mono-4-octylphenyl Ether (n=approx. 10), TCI America™

CAS: 9002-93-1 Molecular Formula: C16H26O2 Molecular Weight (g/mol): 250.38 MDL Number: MFCD00132505 InChI Key: JYCQQPHGFMYQCF-UHFFFAOYSA-N Synonym: triton x-100,triton x,octoxynol,preceptin,triton x-45,triton x 45,octoxynol-3,octoxynol-9,hydrol sw,triton x 100 PubChem CID: 5590 IUPAC Name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(OCCO)C=C1

PubChem CID 5590
CAS 9002-93-1
Molecular Weight (g/mol) 250.38
MDL Number MFCD00132505
SMILES CC(C)(C)CC(C)(C)C1=CC=C(OCCO)C=C1
Synonym triton x-100,triton x,octoxynol,preceptin,triton x-45,triton x 45,octoxynol-3,octoxynol-9,hydrol sw,triton x 100
IUPAC Name 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol
InChI Key JYCQQPHGFMYQCF-UHFFFAOYSA-N
Molecular Formula C16H26O2