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.

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91 – 105 of 158,203 results

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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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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

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o-Dianisidine, 98+%

CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 MDL Number: MFCD00008372 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N

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PubChem CID	8411
CAS	119-90-4
Molecular Weight (g/mol)	244.294
ChEBI	CHEBI:82321
MDL Number	MFCD00008372
SMILES	COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
Synonym	3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b
IUPAC Name	4-(4-amino-3-methoxyphenyl)-2-methoxyaniline
InChI Key	JRBJSXQPQWSCCF-UHFFFAOYSA-N
Molecular Formula	C14H16N2O2

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4-Chlorobenzaldehyde, 98%

CAS: 104-88-1 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.566 MDL Number: MFCD00003379 InChI Key: AVPYQKSLYISFPO-UHFFFAOYSA-N Synonym: p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z PubChem CID: 7726 ChEBI: CHEBI:28105 IUPAC Name: 4-chlorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Cl

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PubChem CID	7726
CAS	104-88-1
Molecular Weight (g/mol)	140.566
ChEBI	CHEBI:28105
MDL Number	MFCD00003379
SMILES	C1=CC(=CC=C1C=O)Cl
Synonym	p-chlorobenzaldehyde,benzaldehyde, 4-chloro,benzaldehyde, p-chloro,p-chlorobenzenecarboxaldehyde,4-chloro-benzaldehyde,4-chlorobenzenaldehyde,4-chloro benzaldehyde,ccris 857,para-chlorobenzaldehyde,unii-e67727up9z
IUPAC Name	4-chlorobenzaldehyde
InChI Key	AVPYQKSLYISFPO-UHFFFAOYSA-N
Molecular Formula	C7H5ClO

Fluconazole, 99%

CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.277 MDL Number: MFCD00274549 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N Synonym: fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol PubChem CID: 3365 ChEBI: CHEBI:46081 IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O

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Specifications

PubChem CID	3365
CAS	86386-73-4
Molecular Weight (g/mol)	306.277
ChEBI	CHEBI:46081
MDL Number	MFCD00274549
SMILES	C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
Synonym	fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol
IUPAC Name	2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
InChI Key	RFHAOTPXVQNOHP-UHFFFAOYSA-N
Molecular Formula	C13H12F2N6O

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4-Chlorobenzophenone, 99%

CAS: 134-85-0 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.664 MDL Number: MFCD00000622 InChI Key: UGVRJVHOJNYEHR-UHFFFAOYSA-N Synonym: 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u PubChem CID: 8653 IUPAC Name: (4-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

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PubChem CID	8653
CAS	134-85-0
Molecular Weight (g/mol)	216.664
MDL Number	MFCD00000622
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
Synonym	4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u
IUPAC Name	(4-chlorophenyl)-phenylmethanone
InChI Key	UGVRJVHOJNYEHR-UHFFFAOYSA-N
Molecular Formula	C13H9ClO

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Pyrene, 98%

CAS: 129-00-0 Molecular Formula: C₁₆H₁₀ Molecular Weight (g/mol): 202.25 MDL Number: MFCD00004136 InChI Key: BBEAQIROQSPTKN-UHFFFAOYSA-N Synonym: benzo def phenanthrene,pyren,beta-pyrene,.beta.-pyrene,pyren german,unii-9e0t7wfw93,ccris 1256,pyrene def phenanthrene,coal tar pitch volatiles:pyrene PubChem CID: 31423 ChEBI: CHEBI:39106 IUPAC Name: pyrene SMILES: C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2

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PubChem CID	31423
CAS	129-00-0
Molecular Weight (g/mol)	202.25
ChEBI	CHEBI:39106
MDL Number	MFCD00004136
SMILES	C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
Synonym	benzo def phenanthrene,pyren,beta-pyrene,.beta.-pyrene,pyren german,unii-9e0t7wfw93,ccris 1256,pyrene def phenanthrene,coal tar pitch volatiles:pyrene
IUPAC Name	pyrene
InChI Key	BBEAQIROQSPTKN-UHFFFAOYSA-N
Molecular Formula	C₁₆H₁₀

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2,6-Dimethoxyphenol, 99%

CAS: 91-10-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00064434 InChI Key: KLIDCXVFHGNTTM-UHFFFAOYSA-N Synonym: syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol PubChem CID: 7041 ChEBI: CHEBI:955 IUPAC Name: 2,6-dimethoxyphenol SMILES: COC1=CC=CC(OC)=C1O

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PubChem CID	7041
CAS	91-10-1
Molecular Weight (g/mol)	154.17
ChEBI	CHEBI:955
MDL Number	MFCD00064434
SMILES	COC1=CC=CC(OC)=C1O
Synonym	syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol
IUPAC Name	2,6-dimethoxyphenol
InChI Key	KLIDCXVFHGNTTM-UHFFFAOYSA-N
Molecular Formula	C8H10O3

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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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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tert-Butyl peroxybenzoate, 98%

CAS: 614-45-9 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008802 InChI Key: GJBRNHKUVLOCEB-UHFFFAOYSA-N Synonym: tert-butyl peroxybenzoate,tert-butyl perbenzoate,t-butyl perbenzoate,chaloxyd tbpb,perbutyl z,esperox 10,novox,trigonox c,tert-butyl peroxy benzoate,terc.butylperbenzoan PubChem CID: 11966 IUPAC Name: tert-butyl benzenecarboperoxoate SMILES: CC(C)(C)OOC(=O)C1=CC=CC=C1

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PubChem CID	11966
CAS	614-45-9
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00008802
SMILES	CC(C)(C)OOC(=O)C1=CC=CC=C1
Synonym	tert-butyl peroxybenzoate,tert-butyl perbenzoate,t-butyl perbenzoate,chaloxyd tbpb,perbutyl z,esperox 10,novox,trigonox c,tert-butyl peroxy benzoate,terc.butylperbenzoan
IUPAC Name	tert-butyl benzenecarboperoxoate
InChI Key	GJBRNHKUVLOCEB-UHFFFAOYSA-N
Molecular Formula	C11H14O3

100

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4-Methoxyphenol, 98+%

CAS: 150-76-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002332 InChI Key: NWVVVBRKAWDGAB-UHFFFAOYSA-N Synonym: mequinol,4-hydroxyanisole,p-hydroxyanisole,p-methoxyphenol,hydroquinone monomethyl ether,phenol, 4-methoxy,leucobasal,mehq,leucodine b,mechinolum PubChem CID: 9015 ChEBI: CHEBI:69441 IUPAC Name: 4-methoxyphenol SMILES: COC1=CC=C(O)C=C1

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PubChem CID	9015
CAS	150-76-5
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:69441
MDL Number	MFCD00002332
SMILES	COC1=CC=C(O)C=C1
Synonym	mequinol,4-hydroxyanisole,p-hydroxyanisole,p-methoxyphenol,hydroquinone monomethyl ether,phenol, 4-methoxy,leucobasal,mehq,leucodine b,mechinolum
IUPAC Name	4-methoxyphenol
InChI Key	NWVVVBRKAWDGAB-UHFFFAOYSA-N
Molecular Formula	C7H8O2

101

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p-Toluenesulfonyl chloride, 99+%

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-methylbenzenesulfonyl 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-methylbenzenesulfonyl chloride
InChI Key	YYROPELSRYBVMQ-UHFFFAOYSA-N
Molecular Formula	C7H7ClO2S

102

o-Tolidine dihydrochloride, ACS

CAS: 612-82-8 Molecular Formula: C14H18Cl2N2 Molecular Weight (g/mol): 285.212 MDL Number: MFCD00012960 InChI Key: LUKPNZHXJRJBAN-UHFFFAOYSA-N Synonym: 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl PubChem CID: 108938 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl

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PubChem CID	108938
CAS	612-82-8
Molecular Weight (g/mol)	285.212
MDL Number	MFCD00012960
SMILES	CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl
Synonym	3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl
IUPAC Name	4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride
InChI Key	LUKPNZHXJRJBAN-UHFFFAOYSA-N
Molecular Formula	C14H18Cl2N2

103

Disodium terephthalate, 99+%

CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 MDL Number: MFCD00013137 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

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PubChem CID	82305
CAS	10028-70-3
Molecular Weight (g/mol)	210.096
MDL Number	MFCD00013137
SMILES	C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym	disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:?
IUPAC Name	disodium;terephthalate
InChI Key	VIQSRHWJEKERKR-UHFFFAOYSA-L
Molecular Formula	C8H4Na2O4

104

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4-Dimethylaminobenzaldehyde, 99+%

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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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

105

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4-Aminophenol, 98%

CAS: 123-30-8 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00007869 InChI Key: PLIKAWJENQZMHA-UHFFFAOYSA-N Synonym: p-aminophenol,4-hydroxyaniline,p-hydroxyaniline,phenol, 4-amino,paranol,4-aminobenzenol,certinal,citol,azol,fouramine p PubChem CID: 403 ChEBI: CHEBI:17602 IUPAC Name: 4-aminophenol SMILES: C1=CC(=CC=C1N)O

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Specifications

PubChem CID	403
CAS	123-30-8
Molecular Weight (g/mol)	109.128
ChEBI	CHEBI:17602
MDL Number	MFCD00007869
SMILES	C1=CC(=CC=C1N)O
Synonym	p-aminophenol,4-hydroxyaniline,p-hydroxyaniline,phenol, 4-amino,paranol,4-aminobenzenol,certinal,citol,azol,fouramine p
IUPAC Name	4-aminophenol
InChI Key	PLIKAWJENQZMHA-UHFFFAOYSA-N
Molecular Formula	C6H7NO

Benzenoids

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