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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 (10,346)
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1 – 15 of 48,373 results
1

2,6-Di-tert-butyl-4-methylphenol, 99%

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

PubChem CID 31404
CAS 128-37-0
Molecular Weight (g/mol) 220.35
ChEBI CHEBI:34247
MDL Number MFCD00011644
SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name 2,6-ditert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
2

2-Formylbenzeneboronic acid, 97%

CAS: 40138-16-7 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151822 InChI Key: DGUWACLYDSWXRZ-UHFFFAOYSA-N Synonym: 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid PubChem CID: 292189 IUPAC Name: (2-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C=O

PubChem CID 292189
CAS 40138-16-7
Molecular Weight (g/mol) 149.94
MDL Number MFCD00151822
SMILES OB(O)C1=CC=CC=C1C=O
Synonym 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid
IUPAC Name (2-formylphenyl)boronic acid
InChI Key DGUWACLYDSWXRZ-UHFFFAOYSA-N
Molecular Formula C7H7BO3
3

Diphenhydramine Hydrochloride, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 147-24-0 Molecular Formula: C17H22ClNO Molecular Weight (g/mol): 291.82 MDL Number: MFCD00012479 InChI Key: PCHPORCSPXIHLZ-UHFFFAOYSA-N IUPAC Name: hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride SMILES: [H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1

CAS 147-24-0
Molecular Weight (g/mol) 291.82
MDL Number MFCD00012479
SMILES [H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride
InChI Key PCHPORCSPXIHLZ-UHFFFAOYSA-N
Molecular Formula C17H22ClNO
4

Sodium salicylate, 99%

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

EDGE
PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
5
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Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

EDGE
PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
6
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Benzoyl Peroxide (Wet/Certified),75%(weight), 25% water, Fisher Chemical™

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

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PubChem CID 7187
CAS 94-36-0
Molecular Weight (g/mol) 242.23
ChEBI CHEBI:82405
MDL Number MFCD00003071
SMILES C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Synonym benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide
IUPAC Name benzoyl benzenecarboperoxoate
InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N
Molecular Formula C14H10O4
7
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Benzyl Alcohol (Certified ACS), Fisher Chemical™
GSA_VA

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
8
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Fisher Scientific Sodium Salicylate (Powder/Certified), Fisher Chemical

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

EDGE
PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
9

trans,trans-1,4-Diphenyl-1,3-butadiene, 99%

CAS: 538-81-8 Molecular Formula: C16H14 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00004791 InChI Key: JFLKFZNIIQFQBS-FNCQTZNRSA-N Synonym: bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl PubChem CID: 641683 ChEBI: CHEBI:35100 IUPAC Name: [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene SMILES: C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1

EDGE
PubChem CID 641683
CAS 538-81-8
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:35100
MDL Number MFCD00004791
SMILES C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1
Synonym bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl
IUPAC Name [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
InChI Key JFLKFZNIIQFQBS-FNCQTZNRSA-N
Molecular Formula C16H14
10

p-Toluenesulfonyl Chloride 99.0+%, TCI America™
SDP

CAS: 98-59-9 Molecular Formula: C7H7ClO2S Molecular Weight (g/mol): 190.64 MDL Number: MFCD00007450 InChI Key: YYROPELSRYBVMQ-UHFFFAOYSA-N Synonym: tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride PubChem CID: 7397 IUPAC Name: 4-methylbenzene-1-sulfonyl chloride SMILES: CC1=CC=C(C=C1)S(Cl)(=O)=O

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PubChem CID 7397
CAS 98-59-9
Molecular Weight (g/mol) 190.64
MDL Number MFCD00007450
SMILES CC1=CC=C(C=C1)S(Cl)(=O)=O
Synonym tosyl chloride,p-toluenesulfonyl chloride,p-tosyl chloride,4-toluenesulfonyl chloride,p-toluenesulfochloride,4-methylbenzene-1-sulfonyl chloride,p-tolylsulfonyl chloride,p-toluenesulphonyl chloride,tosylchloride,p-toluenesulfonic acid chloride
IUPAC Name 4-methylbenzene-1-sulfonyl chloride
InChI Key YYROPELSRYBVMQ-UHFFFAOYSA-N
Molecular Formula C7H7ClO2S
11

p-Anisaldehyde 99.0+%, TCI America™
SDP

CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

EDGE
PubChem CID 31244
CAS 123-11-5
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:28235
MDL Number MFCD00003385
SMILES COC1=CC=C(C=C1)C=O
Synonym p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
IUPAC Name 4-methoxybenzaldehyde
InChI Key ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula C8H8O2
12

2,4,6-Trimethoxybenzaldehyde, 98%

CAS: 830-79-5 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.2 MDL Number: MFCD00003313 InChI Key: CRBZVDLXAIFERF-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4,6-trimethoxy,2,4,6-trimethoxybenz aldehyde,pubchem8264,acmc-1cuhn,ksc490m2h,2,4,6-trimethoxy-benzaldehyde,2,4,6-trimethoxybenz-aldehyde,2,4,6-trimethoxy benz aldehyde,crbzvdlxaiferf-uhfffaoysa,1-formyl-2,4,6-trimethoxybenzene PubChem CID: 70019 IUPAC Name: 2,4,6-trimethoxybenzaldehyde SMILES: COC1=CC(=C(C(=C1)OC)C=O)OC

EDGE
PubChem CID 70019
CAS 830-79-5
Molecular Weight (g/mol) 196.2
MDL Number MFCD00003313
SMILES COC1=CC(=C(C(=C1)OC)C=O)OC
Synonym benzaldehyde, 2,4,6-trimethoxy,2,4,6-trimethoxybenz aldehyde,pubchem8264,acmc-1cuhn,ksc490m2h,2,4,6-trimethoxy-benzaldehyde,2,4,6-trimethoxybenz-aldehyde,2,4,6-trimethoxy benz aldehyde,crbzvdlxaiferf-uhfffaoysa,1-formyl-2,4,6-trimethoxybenzene
IUPAC Name 2,4,6-trimethoxybenzaldehyde
InChI Key CRBZVDLXAIFERF-UHFFFAOYSA-N
Molecular Formula C10H12O4
13

Benzyl Bromide (stabilized with Propylene Oxide) 98.0+%, TCI America™
SDP

CAS: 100-39-0 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.037 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr

EDGE
PubChem CID 7498
CAS 100-39-0
Molecular Weight (g/mol) 171.037
ChEBI CHEBI:59858
MDL Number MFCD00000172
SMILES C1=CC=C(C=C1)CBr
Synonym benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite
IUPAC Name bromomethylbenzene
InChI Key AGEZXYOZHKGVCM-UHFFFAOYSA-N
Molecular Formula C7H7Br
14

Methyl 3-fluorophenylacetate, 98%

CAS: 64123-77-9 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD03093288 InChI Key: OXYLCGRXCQARQV-UHFFFAOYSA-N Synonym: methyl 2-3-fluorophenyl acetate,methyl 3-fluorophenylacetate,methyl3-fluorophenylacetate,methyl 3-fluorophenyl acetate,3-fluorobenzeneacetic acid methyl ester,benzeneacetic acid, 3-fluoro-, methyl ester,3-fluorophenylacetic acid methyl ester,3-fluorophenyl acetic acid methyl ester,3-fluoro-phenyl-acetic acid methyl ester,2-3-fluorophenyl acetic acid methyl ester PubChem CID: 2734108 IUPAC Name: methyl 2-(3-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=CC(F)=C1

EDGE
PubChem CID 2734108
CAS 64123-77-9
Molecular Weight (g/mol) 168.17
MDL Number MFCD03093288
SMILES COC(=O)CC1=CC=CC(F)=C1
Synonym methyl 2-3-fluorophenyl acetate,methyl 3-fluorophenylacetate,methyl3-fluorophenylacetate,methyl 3-fluorophenyl acetate,3-fluorobenzeneacetic acid methyl ester,benzeneacetic acid, 3-fluoro-, methyl ester,3-fluorophenylacetic acid methyl ester,3-fluorophenyl acetic acid methyl ester,3-fluoro-phenyl-acetic acid methyl ester,2-3-fluorophenyl acetic acid methyl ester
IUPAC Name methyl 2-(3-fluorophenyl)acetate
InChI Key OXYLCGRXCQARQV-UHFFFAOYSA-N
Molecular Formula C9H9FO2
15

1-Ethynyl-2-fluorobenzene, 97%, Thermo Scientific Chemicals

CAS: 766-49-4 Molecular Formula: C8H5F Molecular Weight (g/mol): 120.13 MDL Number: MFCD00799540 InChI Key: YFPQIXUNBPQKQR-UHFFFAOYSA-N Synonym: 2-fluorophenylacetylene,2'-fluorophenyl acetylene,1-ethynyl-2-fluoro-benzene,2'-fluorophenylacetylene,2-fluorophenylethyne,o-fluorophenylacetylene,benzene, ethynylfluoro,2-fluoro-phenylacetylene,2-fluorophenyl-ethyne,2-fluorophenyl acetylene PubChem CID: 643358 IUPAC Name: 1-ethynyl-2-fluorobenzene SMILES: FC1=CC=CC=C1C#C

EDGE
PubChem CID 643358
CAS 766-49-4
Molecular Weight (g/mol) 120.13
MDL Number MFCD00799540
SMILES FC1=CC=CC=C1C#C
Synonym 2-fluorophenylacetylene,2'-fluorophenyl acetylene,1-ethynyl-2-fluoro-benzene,2'-fluorophenylacetylene,2-fluorophenylethyne,o-fluorophenylacetylene,benzene, ethynylfluoro,2-fluoro-phenylacetylene,2-fluorophenyl-ethyne,2-fluorophenyl acetylene
IUPAC Name 1-ethynyl-2-fluorobenzene
InChI Key YFPQIXUNBPQKQR-UHFFFAOYSA-N
Molecular Formula C8H5F