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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 (64,891)
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Unsubstituted Phenols (1,173)
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Phenol esters (426)
Anthracenes (400)
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1-hydroxylamino 2-unsubstituted benzenoids (5)

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4,396 – 4,410 of 73,759 results
4,396

4-Methoxy-3-nitrobenzoic acid, 98%, Thermo Scientific™

CAS: 89-41-8 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00007256 InChI Key: ANXBDAFDZSXOPQ-UHFFFAOYSA-N Synonym: 4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid PubChem CID: 66640 SMILES: COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 66640
CAS 89-41-8
Molecular Weight (g/mol) 197.15
MDL Number MFCD00007256
SMILES COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym 4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid
InChI Key ANXBDAFDZSXOPQ-UHFFFAOYSA-N
Molecular Formula C8H7NO5
4,397

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

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
4,398

Phenyl vinyl sulfone, 98%

CAS: 5535-48-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00007554 InChI Key: UJTPZISIAWDGFF-UHFFFAOYSA-N Synonym: phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon PubChem CID: 79664 IUPAC Name: ethenylsulfonylbenzene SMILES: C=CS(=O)(=O)C1=CC=CC=C1

PubChem CID 79664
CAS 5535-48-8
Molecular Weight (g/mol) 168.21
MDL Number MFCD00007554
SMILES C=CS(=O)(=O)C1=CC=CC=C1
Synonym phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon
IUPAC Name ethenylsulfonylbenzene
InChI Key UJTPZISIAWDGFF-UHFFFAOYSA-N
Molecular Formula C8H8O2S
4,399

Phloroglucide hydrate, 95%

CAS: 491-45-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD01543374 InChI Key: KICYRZIVKKYRFS-UHFFFAOYSA-N Synonym: phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol PubChem CID: 248349 IUPAC Name: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol SMILES: OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1

PubChem CID 248349
CAS 491-45-2
Molecular Weight (g/mol) 234.21
MDL Number MFCD01543374
SMILES OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1
Synonym phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol
IUPAC Name 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol
InChI Key KICYRZIVKKYRFS-UHFFFAOYSA-N
Molecular Formula C12H10O5
4,400

4,6-Diaminoresorcinol dihydrochloride, 98%

CAS: 16523-31-2 Molecular Formula: C6H8N2O2·2HCl Molecular Weight (g/mol): 213.06 MDL Number: MFCD00143239 InChI Key: KUMOYHHELWKOCB-UHFFFAOYSA-N Synonym: 4,6-diaminoresorcinol dihydrochloride,4,6-diaminobenzene-1,3-diol dihydrochloride,4,6-diaminoresorcinol 2hcl,1,3-benzenediol, 4,6-diamino-, dihydrochloride,4,6-diamino resorcinol dihydrochloride,4,6-diamino-benzene-1,3-diol 2hcl salt,1,3-benzenediol, 4,6-diamino-, hydrochloride 1:2,4,6-bis azanyl benzene-1,3-diol dihydrochloride,pubchem20873,acmc-1c78d PubChem CID: 2733648 IUPAC Name: 4,6-diaminobenzene-1,3-diol;dihydrochloride SMILES: C1=C(C(=CC(=C1N)O)O)N.Cl.Cl

PubChem CID 2733648
CAS 16523-31-2
Molecular Weight (g/mol) 213.06
MDL Number MFCD00143239
SMILES C1=C(C(=CC(=C1N)O)O)N.Cl.Cl
Synonym 4,6-diaminoresorcinol dihydrochloride,4,6-diaminobenzene-1,3-diol dihydrochloride,4,6-diaminoresorcinol 2hcl,1,3-benzenediol, 4,6-diamino-, dihydrochloride,4,6-diamino resorcinol dihydrochloride,4,6-diamino-benzene-1,3-diol 2hcl salt,1,3-benzenediol, 4,6-diamino-, hydrochloride 1:2,4,6-bis azanyl benzene-1,3-diol dihydrochloride,pubchem20873,acmc-1c78d
IUPAC Name 4,6-diaminobenzene-1,3-diol;dihydrochloride
InChI Key KUMOYHHELWKOCB-UHFFFAOYSA-N
Molecular Formula C6H8N2O2·2HCl
4,401

3,5-Bis(trifluoromethyl)benzaldehyde, 97%

CAS: 401-95-6 Molecular Formula: C9H4F6O Molecular Weight (g/mol): 242.12 MDL Number: MFCD00010206 InChI Key: LDWLIXZSDPXYDR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzaldehyde,3,5-di trifluoromethyl benzaldehyde,mbt-bad,benzaldehyde, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzaldehyde,3,5-bis-trifluoromethyl benzaldehyde,pubchem4162,acmc-1ajhv,ksc490m1j PubChem CID: 136247 IUPAC Name: 3,5-bis(trifluoromethyl)benzaldehyde SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O

PubChem CID 136247
CAS 401-95-6
Molecular Weight (g/mol) 242.12
MDL Number MFCD00010206
SMILES C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=O
Synonym 3,5-bis trifluoromethyl benzaldehyde,3,5-di trifluoromethyl benzaldehyde,mbt-bad,benzaldehyde, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl-benzaldehyde,3,5-bis-trifluoromethyl benzaldehyde,pubchem4162,acmc-1ajhv,ksc490m1j
IUPAC Name 3,5-bis(trifluoromethyl)benzaldehyde
InChI Key LDWLIXZSDPXYDR-UHFFFAOYSA-N
Molecular Formula C9H4F6O
4,402

2-chloro-6-fluorobenzaldehyde, 95%

CAS: 387-45-1 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00003306 InChI Key: OACPOWYLLGHGCR-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-6-fluoro,2,6-cfad,2-chloro-6-fluoro-benzaldehyd,unii-51yj9bw8w7,2-chloro-6-fluoro benzaldehyde,2-chloro-6-fluoro-benzaldehyde,2-fluoro-6-chloro benzaldehyde,6-chloro-2-fluorobenzaldehyde,pubchem1434,acmc-209j1r PubChem CID: 67847 IUPAC Name: 2-chloro-6-fluorobenzaldehyde SMILES: FC1=CC=CC(Cl)=C1C=O

PubChem CID 67847
CAS 387-45-1
Molecular Weight (g/mol) 158.56
MDL Number MFCD00003306
SMILES FC1=CC=CC(Cl)=C1C=O
Synonym benzaldehyde, 2-chloro-6-fluoro,2,6-cfad,2-chloro-6-fluoro-benzaldehyd,unii-51yj9bw8w7,2-chloro-6-fluoro benzaldehyde,2-chloro-6-fluoro-benzaldehyde,2-fluoro-6-chloro benzaldehyde,6-chloro-2-fluorobenzaldehyde,pubchem1434,acmc-209j1r
IUPAC Name 2-chloro-6-fluorobenzaldehyde
InChI Key OACPOWYLLGHGCR-UHFFFAOYSA-N
Molecular Formula C7H4ClFO
4,403

Homovanillic acid, 98%

CAS: 306-08-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O

PubChem CID 1738
CAS 306-08-1
Molecular Weight (g/mol) 182.18
ChEBI CHEBI:545959
MDL Number MFCD00004350
SMILES COC1=C(C=CC(=C1)CC(=O)O)O
Synonym homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid
IUPAC Name 2-(4-hydroxy-3-methoxyphenyl)acetic acid
InChI Key QRMZSPFSDQBLIX-UHFFFAOYSA-N
Molecular Formula C9H10O4
4,404

Methyl 4-tert-butylbenzoate, 99%, Thermo Scientific™

CAS: 26537-19-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00008835 InChI Key: UPIJOAFHOIWPLT-UHFFFAOYSA-N Synonym: methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester PubChem CID: 97433 IUPAC Name: methyl 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC

PubChem CID 97433
CAS 26537-19-9
Molecular Weight (g/mol) 192.26
MDL Number MFCD00008835
SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)OC
Synonym methyl 4-tert-butyl benzoate,methyl p-tert-butylbenzoate,4-tert-butylbenzoic acid methyl ester,unii-8vk4o27jmt,benzoic acid, 4-1,1-dimethylethyl-, methyl ester,methyl 4-t-butylbenzoate,8vk4o27jmt,methyl4-tert-butylbenzoate,methyl p-t-butylbenzoate,benzoic acid, p-tert-butyl-, methyl ester
IUPAC Name methyl 4-tert-butylbenzoate
InChI Key UPIJOAFHOIWPLT-UHFFFAOYSA-N
Molecular Formula C12H16O2
4,405

4-Bromo-3-methylaniline, 97%, Thermo Scientific™

CAS: 6933-10-4 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00007828

CAS 6933-10-4
Molecular Weight (g/mol) 186.05
MDL Number MFCD00007828
Molecular Formula C7H8BrN
4,406

2-Methyl-3-nitrobenzyl chloride, 97%, Thermo Scientific™

CAS: 60468-54-4 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD00007165 InChI Key: XZNDXQGZPOZITR-UHFFFAOYSA-N Synonym: 2-methyl-3-nitrobenzyl chloride,1-chloromethyl-2-methyl-3-nitrobenzene,alpha-chloro-2-methyl-3-nitrotoluene,1-chloromethyl-2-methyl-3-nitro-benzene,2-methyl-3-nitrobenzylchloride,benzene, 1-chloromethyl-2-methyl-3-nitro,acmc-1b2j5,ksc497o8t,2-chloromethyl-6-nitrotoluene PubChem CID: 108947 IUPAC Name: 1-(chloromethyl)-2-methyl-3-nitrobenzene SMILES: CC1=C(CCl)C=CC=C1[N+]([O-])=O

PubChem CID 108947
CAS 60468-54-4
Molecular Weight (g/mol) 185.61
MDL Number MFCD00007165
SMILES CC1=C(CCl)C=CC=C1[N+]([O-])=O
Synonym 2-methyl-3-nitrobenzyl chloride,1-chloromethyl-2-methyl-3-nitrobenzene,alpha-chloro-2-methyl-3-nitrotoluene,1-chloromethyl-2-methyl-3-nitro-benzene,2-methyl-3-nitrobenzylchloride,benzene, 1-chloromethyl-2-methyl-3-nitro,acmc-1b2j5,ksc497o8t,2-chloromethyl-6-nitrotoluene
IUPAC Name 1-(chloromethyl)-2-methyl-3-nitrobenzene
InChI Key XZNDXQGZPOZITR-UHFFFAOYSA-N
Molecular Formula C8H8ClNO2
4,407

3-Amino-4-hydroxybenzoic acid, 98%

CAS: 1571-72-8 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007697 InChI Key: MRBKRZAPGUCWOS-UHFFFAOYSA-N Synonym: benzoic acid, 3-amino-4-hydroxy,cheetan,3,4-ahba,3-amino-4-hydroxy-benzoic acid,5-amino saliciylic acid,3-amino-4-hydroxy benzoic acid,3-amino-4-hydroxybenzoic acid hydrochloride,3-amino-4-hydroxybenzoicacid,5-amino saliciylic acid 5-asa,pubchem20504 PubChem CID: 65083 ChEBI: CHEBI:29476 IUPAC Name: 3-amino-4-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)O

PubChem CID 65083
CAS 1571-72-8
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:29476
MDL Number MFCD00007697
SMILES C1=CC(=C(C=C1C(=O)O)N)O
Synonym benzoic acid, 3-amino-4-hydroxy,cheetan,3,4-ahba,3-amino-4-hydroxy-benzoic acid,5-amino saliciylic acid,3-amino-4-hydroxy benzoic acid,3-amino-4-hydroxybenzoic acid hydrochloride,3-amino-4-hydroxybenzoicacid,5-amino saliciylic acid 5-asa,pubchem20504
IUPAC Name 3-amino-4-hydroxybenzoic acid
InChI Key MRBKRZAPGUCWOS-UHFFFAOYSA-N
Molecular Formula C7H7NO3
4,408

3,5-Dihydroxybenzyl alcohol, 98%

CAS: 29654-55-5 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00016867 InChI Key: NGYYFWGABVVEPL-UHFFFAOYSA-N Synonym: 3,5-dihydroxybenzyl alcohol,5-hydroxymethyl-1,3-benzenediol,5-hydroxymethyl benzene-1,3-diol,5-hydroxymethyl resorcinol,benzyl alcohol, 3,5-dihydroxy,1,3-benzenediol, 5-hydroxymethyl,3,5-dihydroxybenzylalcohol,3,5-dihydroxy benzyl alcohol,pubchem7418,acmc-1cjog PubChem CID: 34661 IUPAC Name: 5-(hydroxymethyl)benzene-1,3-diol SMILES: C1=C(C=C(C=C1O)O)CO

PubChem CID 34661
CAS 29654-55-5
Molecular Weight (g/mol) 140.14
MDL Number MFCD00016867
SMILES C1=C(C=C(C=C1O)O)CO
Synonym 3,5-dihydroxybenzyl alcohol,5-hydroxymethyl-1,3-benzenediol,5-hydroxymethyl benzene-1,3-diol,5-hydroxymethyl resorcinol,benzyl alcohol, 3,5-dihydroxy,1,3-benzenediol, 5-hydroxymethyl,3,5-dihydroxybenzylalcohol,3,5-dihydroxy benzyl alcohol,pubchem7418,acmc-1cjog
IUPAC Name 5-(hydroxymethyl)benzene-1,3-diol
InChI Key NGYYFWGABVVEPL-UHFFFAOYSA-N
Molecular Formula C7H8O3
4,409

2,4-Difluorobenzylamine, 98%

CAS: 72235-52-0 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD00010142 InChI Key: QDZZDVQGBKTLHV-UHFFFAOYSA-N Synonym: 2,4-difluorobenzylamine,2,4-difluorophenyl methanamine,2,4-difluorobenzyl amine,benzenemethanamine, 2,4-difluoro,1-2,4-difluorophenyl methanamine,2,4-difluorophenyl methylamine,n-difluorobenzylamine,pubchem4399,2,4-difluorbenzylamine,acmc-209oma PubChem CID: 2733244 IUPAC Name: (2,4-difluorophenyl)methanamine SMILES: C1=CC(=C(C=C1F)F)CN

PubChem CID 2733244
CAS 72235-52-0
Molecular Weight (g/mol) 143.14
MDL Number MFCD00010142
SMILES C1=CC(=C(C=C1F)F)CN
Synonym 2,4-difluorobenzylamine,2,4-difluorophenyl methanamine,2,4-difluorobenzyl amine,benzenemethanamine, 2,4-difluoro,1-2,4-difluorophenyl methanamine,2,4-difluorophenyl methylamine,n-difluorobenzylamine,pubchem4399,2,4-difluorbenzylamine,acmc-209oma
IUPAC Name (2,4-difluorophenyl)methanamine
InChI Key QDZZDVQGBKTLHV-UHFFFAOYSA-N
Molecular Formula C7H7F2N
4,410

2,7-Dibromofluorene, 99%

CAS: 16433-88-8 Molecular Formula: C13H8Br2 Molecular Weight (g/mol): 324.02 MDL Number: MFCD00019048 InChI Key: AVXFJPFSWLMKSG-UHFFFAOYSA-N Synonym: 2,7-dibromofluorene,9h-fluorene, 2,7-dibromo,fluorene, 2,7-dibromo,fluorene,7-dibromo,2, 7-dibromofluorene,2,7-di bromo fluorene,9h-fluorene,7-dibromo,acmc-1c8sn,ksc491i1j PubChem CID: 140073 IUPAC Name: 2,7-dibromo-9H-fluorene SMILES: BrC1=CC=C2C(CC3=CC(Br)=CC=C23)=C1

PubChem CID 140073
CAS 16433-88-8
Molecular Weight (g/mol) 324.02
MDL Number MFCD00019048
SMILES BrC1=CC=C2C(CC3=CC(Br)=CC=C23)=C1
Synonym 2,7-dibromofluorene,9h-fluorene, 2,7-dibromo,fluorene, 2,7-dibromo,fluorene,7-dibromo,2, 7-dibromofluorene,2,7-di bromo fluorene,9h-fluorene,7-dibromo,acmc-1c8sn,ksc491i1j
IUPAC Name 2,7-dibromo-9H-fluorene
InChI Key AVXFJPFSWLMKSG-UHFFFAOYSA-N
Molecular Formula C13H8Br2