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.

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5-Sulfosalicylic Acid Dihydrate (Crystalline/Certified ACS), Fisher Chemical™

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; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

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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; bis(methane)
InChI Key	NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula	C9H14O6S

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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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Specifications

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

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p-Dimethylaminobenzaldehyde (Certified ACS), Fisher Chemical™

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

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Specifications

PubChem CID	7479
CAS	100-10-7
Molecular Weight (g/mol)	149.19
MDL Number	MFCD00003381
SMILES	CN(C)C1=CC=C(C=O)C=C1
Synonym	4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name	4-(dimethylamino)benzaldehyde
InChI Key	BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula	C9H11NO

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Benzyl Alcohol (NF), Fisher Chemical™

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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Specifications

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

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4-tert-Butylcatechol, 99%

CAS: 98-29-3 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002201 InChI Key: XESZUVZBAMCAEJ-UHFFFAOYSA-N Synonym: 4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin PubChem CID: 7381 IUPAC Name: 4-tert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC=C(O)C(O)=C1

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PubChem CID	7381
CAS	98-29-3
Molecular Weight (g/mol)	166.22
MDL Number	MFCD00002201
SMILES	CC(C)(C)C1=CC=C(O)C(O)=C1
Synonym	4-tert-butylcatechol,p-tert-butylcatechol,4-tert-butylpyrocatechol,p-tert-butyl catechol,4-tert-butyl benzene-1,2-diol,4-t-butylpyrocatechol,p-tert-butylpyrocatechol,4-t-butylcatechol,1,2-benzenediol, 4-1,1-dimethylethyl,4-tert-butylcatechin
IUPAC Name	4-tert-butylbenzene-1,2-diol
InChI Key	XESZUVZBAMCAEJ-UHFFFAOYSA-N
Molecular Formula	C10H14O2

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Triphenyl phosphite, 99%

CAS: 101-02-0 Molecular Formula: C₁₈H₁₅O₃P Molecular Weight (g/mol): 310.28 InChI Key: HVLLSGMXQDNUAL-UHFFFAOYSA-N Synonym: phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 PubChem CID: 7540 IUPAC Name: triphenyl phosphite SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3

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Specifications

PubChem CID	7540
CAS	101-02-0
Molecular Weight (g/mol)	310.28
SMILES	C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym	phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310
IUPAC Name	triphenyl phosphite
InChI Key	HVLLSGMXQDNUAL-UHFFFAOYSA-N
Molecular Formula	C₁₈H₁₅O₃P

Butylated Hydroxytoluene Crystalline MP Biomedicals

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 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

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Specifications

PubChem CID	31404
CAS	128-37-0
Molecular Weight (g/mol)	220.356
ChEBI	CHEBI:34247
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

Thimerosal

CAS: 54-64-8 Molecular Formula: C9H9HgNaO2S Molecular Weight (g/mol): 404.81 MDL Number: MFCD00013062 InChI Key: RTKIYNMVFMVABJ-UHFFFAOYSA-L Synonym: thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate PubChem CID: 16684434 ChEBI: CHEBI:9546 SMILES: [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O

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Specifications

PubChem CID	16684434
CAS	54-64-8
Molecular Weight (g/mol)	404.81
ChEBI	CHEBI:9546
MDL Number	MFCD00013062
SMILES	[Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O
Synonym	thimerosal,thiomersal,thiomersalate,mercurothiolate,sodium merthiolate,sodium ethylmercurithiosalicylate,merthiolate,thimerosalate,thimerosalum,thimersalate
InChI Key	RTKIYNMVFMVABJ-UHFFFAOYSA-L
Molecular Formula	C9H9HgNaO2S

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PubChem CID	7479
CAS	100-10-7
Molecular Weight (g/mol)	149.19
MDL Number	MFCD00003381
SMILES	CN(C)C1=CC=C(C=O)C=C1
Synonym	4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name	4-(dimethylamino)benzaldehyde
InChI Key	BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula	C9H11NO

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p-Methylstyrene, 97%, stabilized

CAS: 622-97-9 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00008621 InChI Key: JLBJTVDPSNHSKJ-UHFFFAOYSA-N Synonym: 4-methylstyrene,1-methyl-4-vinylbenzene,p-methylstyrene,4-vinyltoluene,p-vinyltoluene,benzene, 1-ethenyl-4-methyl,styrene, p-methyl,p-methyl styrene,1-p-tolylethene,para-methylstyrene PubChem CID: 12161 IUPAC Name: 1-ethenyl-4-methylbenzene SMILES: CC1=CC=C(C=C)C=C1

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Specifications

PubChem CID	12161
CAS	622-97-9
Molecular Weight (g/mol)	118.18
MDL Number	MFCD00008621
SMILES	CC1=CC=C(C=C)C=C1
Synonym	4-methylstyrene,1-methyl-4-vinylbenzene,p-methylstyrene,4-vinyltoluene,p-vinyltoluene,benzene, 1-ethenyl-4-methyl,styrene, p-methyl,p-methyl styrene,1-p-tolylethene,para-methylstyrene
IUPAC Name	1-ethenyl-4-methylbenzene
InChI Key	JLBJTVDPSNHSKJ-UHFFFAOYSA-N
Molecular Formula	C9H10

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5,5'-Dithiobis(2-nitrobenzoic acid), 99%

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

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Eugenol, 99%

CAS: 97-53-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N Synonym: eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol PubChem CID: 3314 ChEBI: CHEBI:4917 SMILES: COC1=CC(CC=C)=CC=C1O

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Specifications

PubChem CID	3314
CAS	97-53-0
Molecular Weight (g/mol)	164.20
ChEBI	CHEBI:4917
MDL Number	MFCD00008654
SMILES	COC1=CC(CC=C)=CC=C1O
Synonym	eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol
InChI Key	RRAFCDWBNXTKKO-UHFFFAOYSA-N
Molecular Formula	C10H12O2

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Phenylacetaldehyde, 95%

CAS: 122-78-1 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N Synonym: phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1

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Specifications

PubChem CID	998
CAS	122-78-1
Molecular Weight (g/mol)	120.15
ChEBI	CHEBI:16424
MDL Number	MFCD00006993
SMILES	O=CCC1=CC=CC=C1
Synonym	phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde
IUPAC Name	2-phenylacetaldehyde
InChI Key	DTUQWGWMVIHBKE-UHFFFAOYSA-N
Molecular Formula	C8H8O

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1,4-Dimethoxybenzene, 99+%

CAS: 150-78-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008401 InChI Key: OHBQPCCCRFSCAX-UHFFFAOYSA-N Synonym: p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 PubChem CID: 9016 IUPAC Name: 1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C=C1

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Specifications

PubChem CID	9016
CAS	150-78-7
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00008401
SMILES	COC1=CC=C(OC)C=C1
Synonym	p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9
IUPAC Name	1,4-dimethoxybenzene
InChI Key	OHBQPCCCRFSCAX-UHFFFAOYSA-N
Molecular Formula	C8H10O2

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Phenylhydrazine Hydrochloride, 99+%

CAS: 59-88-1 Molecular Formula: C6H9ClN2 Molecular Weight (g/mol): 144.60 MDL Number: MFCD00012924 InChI Key: JOVOSQBPPZZESK-UHFFFAOYSA-N Synonym: phenylhydrazine hydrochloride,phenylhydrazinium chloride,phenylhydrazine-hcl,phenylhydrazine monohydrochloride,phenylhydrazine hcl,hydrazine, phenyl-, monohydrochloride,unii-h7qfk49svd,phenylhydrazin hydrochlorid,phenylhydrazine.hcl,ccris 5707 PubChem CID: 60962 IUPAC Name: phenylhydrazine;hydrochloride SMILES: [H+].[Cl-].NNC1=CC=CC=C1

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Specifications

PubChem CID	60962
CAS	59-88-1
Molecular Weight (g/mol)	144.60
MDL Number	MFCD00012924
SMILES	[H+].[Cl-].NNC1=CC=CC=C1
Synonym	phenylhydrazine hydrochloride,phenylhydrazinium chloride,phenylhydrazine-hcl,phenylhydrazine monohydrochloride,phenylhydrazine hcl,hydrazine, phenyl-, monohydrochloride,unii-h7qfk49svd,phenylhydrazin hydrochlorid,phenylhydrazine.hcl,ccris 5707
IUPAC Name	phenylhydrazine;hydrochloride
InChI Key	JOVOSQBPPZZESK-UHFFFAOYSA-N
Molecular Formula	C6H9ClN2

Benzene and substituted derivatives

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