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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 (234)
Phenols (64)
Naphthalenes (53)
Pyrenes (4)
Phenanthrenes and derivatives (3)
Unsubstituted Phenols (3)
Anthracenes (2)
Pentacenequinones (2)
Tetralins (2)
Phenol esters (1)
Triphenyl compounds (1)

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1 – 15 of 349 results
1

1,3-Benzenedimethanol, 98%

CAS: 626-18-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004649 InChI Key: YWMLORGQOFONNT-UHFFFAOYSA-N Synonym: 1,3-benzenedimethanol,3-hydroxymethyl phenyl methanol,1,3-phenylenedimethanol,1,3-dihydroxymethylbenzene,m-xylene-alpha,alpha'-diol,m-xylene glycol,m-xylylene glycol,3-hydroxymethyl phenyl methan-1-ol,m-xylylenalkohol,m-benzenedimethanol PubChem CID: 69374 IUPAC Name: [3-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)CO

PubChem CID 69374
CAS 626-18-6
Molecular Weight (g/mol) 138.166
MDL Number MFCD00004649
SMILES C1=CC(=CC(=C1)CO)CO
Synonym 1,3-benzenedimethanol,3-hydroxymethyl phenyl methanol,1,3-phenylenedimethanol,1,3-dihydroxymethylbenzene,m-xylene-alpha,alpha'-diol,m-xylene glycol,m-xylylene glycol,3-hydroxymethyl phenyl methan-1-ol,m-xylylenalkohol,m-benzenedimethanol
IUPAC Name [3-(hydroxymethyl)phenyl]methanol
InChI Key YWMLORGQOFONNT-UHFFFAOYSA-N
Molecular Formula C8H10O2
2

3-Iodobenzaldehyde, 98%

CAS: 696-41-3 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039573 InChI Key: RZODAQZAFOBFLS-UHFFFAOYSA-N Synonym: 3-iodo-benzaldehyde,3-iodbenzaldehyd,benzaldehyde, 3-iodo,3-iodo benzaldehyde,3-iodanylbenzaldehyde,pubchem3917,acmc-1atsd,1-formyl-3-iodobenzene,m-iodobenzaldehyde,3-iodobenzaldehyde PubChem CID: 252610 IUPAC Name: 3-iodobenzaldehyde SMILES: C1=CC(=CC(=C1)I)C=O

PubChem CID 252610
CAS 696-41-3
Molecular Weight (g/mol) 232.02
MDL Number MFCD00039573
SMILES C1=CC(=CC(=C1)I)C=O
Synonym 3-iodo-benzaldehyde,3-iodbenzaldehyd,benzaldehyde, 3-iodo,3-iodo benzaldehyde,3-iodanylbenzaldehyde,pubchem3917,acmc-1atsd,1-formyl-3-iodobenzene,m-iodobenzaldehyde,3-iodobenzaldehyde
IUPAC Name 3-iodobenzaldehyde
InChI Key RZODAQZAFOBFLS-UHFFFAOYSA-N
Molecular Formula C7H5IO
3

2,4-Dimethylbenzyl alcohol, 97%

CAS: 16308-92-2 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004624 InChI Key: QUIMJTKRVOBTQN-UHFFFAOYSA-N PubChem CID: 27809 IUPAC Name: (2,4-dimethylphenyl)methanol SMILES: CC1=CC(=C(C=C1)CO)C

PubChem CID 27809
CAS 16308-92-2
Molecular Weight (g/mol) 136.194
MDL Number MFCD00004624
SMILES CC1=CC(=C(C=C1)CO)C
IUPAC Name (2,4-dimethylphenyl)methanol
InChI Key QUIMJTKRVOBTQN-UHFFFAOYSA-N
Molecular Formula C9H12O
4

4-Methoxyphenylglyoxal hydrate, 95%, dry wt. basis

CAS: 16208-17-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00234534 InChI Key: NLUFPYPVEHQAQN-UHFFFAOYSA-N Synonym: 4-methoxyphenylglyoxal hydrate,2-4-methoxyphenyl-2-oxoacetaldehyde hydrate,pubchem12129,acmc-20ai17,4-methoxyphenyl glyoxal hydrate,p-methoxyphenylglyoxal monohydrate,2-4-methoxyphenyl-2-oxoethanal, hydrate,ethanone,2,2-dihydroxy-1-4-methoxyphenyl,4-methoxyphenyl oxo acetaldehyde-water 1/1,2-4-methoxyphenyl-2-oxidanylidene-ethanal hydrate PubChem CID: 15556730 IUPAC Name: 2-(4-methoxyphenyl)-2-oxoacetaldehyde;hydrate SMILES: COC1=CC=C(C=C1)C(=O)C(O)O

PubChem CID 15556730
CAS 16208-17-6
Molecular Weight (g/mol) 182.18
MDL Number MFCD00234534
SMILES COC1=CC=C(C=C1)C(=O)C(O)O
Synonym 4-methoxyphenylglyoxal hydrate,2-4-methoxyphenyl-2-oxoacetaldehyde hydrate,pubchem12129,acmc-20ai17,4-methoxyphenyl glyoxal hydrate,p-methoxyphenylglyoxal monohydrate,2-4-methoxyphenyl-2-oxoethanal, hydrate,ethanone,2,2-dihydroxy-1-4-methoxyphenyl,4-methoxyphenyl oxo acetaldehyde-water 1/1,2-4-methoxyphenyl-2-oxidanylidene-ethanal hydrate
IUPAC Name 2-(4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
InChI Key NLUFPYPVEHQAQN-UHFFFAOYSA-N
Molecular Formula C9H10O4
5

2-Iodophenylacetonitrile, 96%

CAS: 40400-15-5 Molecular Formula: C8H6IN Molecular Weight (g/mol): 243.047 MDL Number: MFCD00040888 InChI Key: FPSGTRJUQLYLHE-UHFFFAOYSA-N Synonym: 2-iodophenylacetonitrile,2-2-iodophenyl acetonitrile,2-iodobenzyl cyanide,o-iodophenylacetonitrile,benzeneacetonitrile, 2-iodo,o-iodobenzyl cyanide,acmc-20a7xu,2-iodo-phenylacetonitrile,2-iodo-phenyl-acetonitrile,2-2-iodophenyl ethanenitrile PubChem CID: 4402282 IUPAC Name: 2-(2-iodophenyl)acetonitrile SMILES: C1=CC=C(C(=C1)CC#N)I

PubChem CID 4402282
CAS 40400-15-5
Molecular Weight (g/mol) 243.047
MDL Number MFCD00040888
SMILES C1=CC=C(C(=C1)CC#N)I
Synonym 2-iodophenylacetonitrile,2-2-iodophenyl acetonitrile,2-iodobenzyl cyanide,o-iodophenylacetonitrile,benzeneacetonitrile, 2-iodo,o-iodobenzyl cyanide,acmc-20a7xu,2-iodo-phenylacetonitrile,2-iodo-phenyl-acetonitrile,2-2-iodophenyl ethanenitrile
IUPAC Name 2-(2-iodophenyl)acetonitrile
InChI Key FPSGTRJUQLYLHE-UHFFFAOYSA-N
Molecular Formula C8H6IN
6

1-Chloronaphthalene 85.0+%, TCI America™

CAS: 90-13-1 Molecular Formula: C10H7Cl Molecular Weight (g/mol): 162.616 MDL Number: MFCD00003874 InChI Key: JTPNRXUCIXHOKM-UHFFFAOYSA-N Synonym: alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene PubChem CID: 7003 IUPAC Name: 1-chloronaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2Cl

PubChem CID 7003
CAS 90-13-1
Molecular Weight (g/mol) 162.616
MDL Number MFCD00003874
SMILES C1=CC=C2C(=C1)C=CC=C2Cl
Synonym alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene
IUPAC Name 1-chloronaphthalene
InChI Key JTPNRXUCIXHOKM-UHFFFAOYSA-N
Molecular Formula C10H7Cl
7

1-Chloronaphthalene 97.0+%, TCI America™

CAS: 90-13-1 Molecular Formula: C10H7Cl Molecular Weight (g/mol): 162.616 MDL Number: MFCD00003874 InChI Key: JTPNRXUCIXHOKM-UHFFFAOYSA-N Synonym: alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene PubChem CID: 7003 IUPAC Name: 1-chloronaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2Cl

PubChem CID 7003
CAS 90-13-1
Molecular Weight (g/mol) 162.616
MDL Number MFCD00003874
SMILES C1=CC=C2C(=C1)C=CC=C2Cl
Synonym alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene
IUPAC Name 1-chloronaphthalene
InChI Key JTPNRXUCIXHOKM-UHFFFAOYSA-N
Molecular Formula C10H7Cl
8

6,13-Pentacenedione 95.0+%, TCI America™

CAS: 3029-32-1 Molecular Formula: C22H12O2 Molecular Weight (g/mol): 308.336 MDL Number: MFCD00003709 InChI Key: UFCVADNIXDUEFZ-UHFFFAOYSA-N Synonym: 6,13-pentacenequinone,6,13-pentacenedione,acmc-209hec,ufcvadnixduefz-uhfffaoysa PubChem CID: 76415 IUPAC Name: pentacene-6,13-dione SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O

PubChem CID 76415
CAS 3029-32-1
Molecular Weight (g/mol) 308.336
MDL Number MFCD00003709
SMILES C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5C=C4C3=O
Synonym 6,13-pentacenequinone,6,13-pentacenedione,acmc-209hec,ufcvadnixduefz-uhfffaoysa
IUPAC Name pentacene-6,13-dione
InChI Key UFCVADNIXDUEFZ-UHFFFAOYSA-N
Molecular Formula C22H12O2
9

4-Chloro-2-iodobenzoic Acid 98.0+%, TCI America™

CAS: 13421-13-1 Molecular Formula: C7H4ClIO2 Molecular Weight (g/mol): 282.46 MDL Number: MFCD00060676 InChI Key: LRRDANNSUCQNDU-UHFFFAOYSA-N Synonym: 4-chloro-2-iodobenzoicacid,2-iodo-4-chlorobenzoic acid,4-chloro-2-iodo-benzoic acid,benzoic acid, 4-chloro-2-iodo,buttpark 100\07-49,pubchem4018,acmc-209bu6,ksc519a3p,benzoic acid,4-chloro-2-iodo,4-chloro-2-iodobenzoic acid PubChem CID: 139452 IUPAC Name: 4-chloro-2-iodobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1I

PubChem CID 139452
CAS 13421-13-1
Molecular Weight (g/mol) 282.46
MDL Number MFCD00060676
SMILES OC(=O)C1=CC=C(Cl)C=C1I
Synonym 4-chloro-2-iodobenzoicacid,2-iodo-4-chlorobenzoic acid,4-chloro-2-iodo-benzoic acid,benzoic acid, 4-chloro-2-iodo,buttpark 100\07-49,pubchem4018,acmc-209bu6,ksc519a3p,benzoic acid,4-chloro-2-iodo,4-chloro-2-iodobenzoic acid
IUPAC Name 4-chloro-2-iodobenzoic acid
InChI Key LRRDANNSUCQNDU-UHFFFAOYSA-N
Molecular Formula C7H4ClIO2
10

m,m'-Ditolylamine 98.0+%, TCI America™

CAS: 626-13-1 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.281 MDL Number: MFCD00059315 InChI Key: CWVPIIWMONJVGG-UHFFFAOYSA-N Synonym: di-m-tolylamine,3,3'-dimethyldiphenylamine,m,m'-ditolylamine,dim-tolylamine,bis 3-methylphenyl amine,3-methyl-n-3-methylphenyl aniline,benzenamine, 3-methyl-n-3-methylphenyl,di-m-tolyl-amine,3,3'-ditolylamine,pubchem8963 PubChem CID: 7016139 IUPAC Name: 3-methyl-N-(3-methylphenyl)aniline SMILES: CC1=CC(=CC=C1)NC2=CC=CC(=C2)C

PubChem CID 7016139
CAS 626-13-1
Molecular Weight (g/mol) 197.281
MDL Number MFCD00059315
SMILES CC1=CC(=CC=C1)NC2=CC=CC(=C2)C
Synonym di-m-tolylamine,3,3'-dimethyldiphenylamine,m,m'-ditolylamine,dim-tolylamine,bis 3-methylphenyl amine,3-methyl-n-3-methylphenyl aniline,benzenamine, 3-methyl-n-3-methylphenyl,di-m-tolyl-amine,3,3'-ditolylamine,pubchem8963
IUPAC Name 3-methyl-N-(3-methylphenyl)aniline
InChI Key CWVPIIWMONJVGG-UHFFFAOYSA-N
Molecular Formula C14H15N
11

N-Benzyl-N-nitroso-p-toluenesulfonamide 98.0+%, TCI America™

CAS: 33528-13-1 Molecular Formula: C14H14N2O3S Molecular Weight (g/mol): 290.337 MDL Number: MFCD00216617 InChI Key: ZXELPGWSCCGNDS-UHFFFAOYSA-N PubChem CID: 4118076 IUPAC Name: N-benzyl-4-methyl-N-nitrosobenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O

PubChem CID 4118076
CAS 33528-13-1
Molecular Weight (g/mol) 290.337
MDL Number MFCD00216617
SMILES CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O
IUPAC Name N-benzyl-4-methyl-N-nitrosobenzenesulfonamide
InChI Key ZXELPGWSCCGNDS-UHFFFAOYSA-N
Molecular Formula C14H14N2O3S
12

1-Methyl-3-p-tolyltriazene 98.0+%, TCI America™

CAS: 21124-13-0 Molecular Formula: C8H11N3 Molecular Weight (g/mol): 149.197 MDL Number: MFCD00008282 InChI Key: DNGJVDGPCGXBFF-UHFFFAOYSA-N PubChem CID: 30492 IUPAC Name: 4-methyl-N-(methyldiazenyl)aniline SMILES: CC1=CC=C(C=C1)NN=NC

PubChem CID 30492
CAS 21124-13-0
Molecular Weight (g/mol) 149.197
MDL Number MFCD00008282
SMILES CC1=CC=C(C=C1)NN=NC
IUPAC Name 4-methyl-N-(methyldiazenyl)aniline
InChI Key DNGJVDGPCGXBFF-UHFFFAOYSA-N
Molecular Formula C8H11N3
13

1-Benzyloxy-3-bromobenzene 98.0+%, TCI America™

CAS: 53087-13-1 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 MDL Number: MFCD00155065 InChI Key: HVWZMGZBJCJDOX-UHFFFAOYSA-N Synonym: 1-benzyloxy-3-bromobenzene,3-benzyloxybromobenzene,benzyl 3-bromophenyl ether,1-bromo-3-benzyloxybenzene,3-benzyloxy bromobenzene,3-bromophenyl benzyl ether,benzene, 1-bromo-3-phenylmethoxy,1-benzyloxy-3-bromo-benzene,pubchem3065 PubChem CID: 2756638 IUPAC Name: 1-bromo-3-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)Br

PubChem CID 2756638
CAS 53087-13-1
Molecular Weight (g/mol) 263.134
MDL Number MFCD00155065
SMILES C1=CC=C(C=C1)COC2=CC(=CC=C2)Br
Synonym 1-benzyloxy-3-bromobenzene,3-benzyloxybromobenzene,benzyl 3-bromophenyl ether,1-bromo-3-benzyloxybenzene,3-benzyloxy bromobenzene,3-bromophenyl benzyl ether,benzene, 1-bromo-3-phenylmethoxy,1-benzyloxy-3-bromo-benzene,pubchem3065
IUPAC Name 1-bromo-3-phenylmethoxybenzene
InChI Key HVWZMGZBJCJDOX-UHFFFAOYSA-N
Molecular Formula C13H11BrO
14

Dimethyl 1,5-Naphthalenedisulfonate 98.0+%, TCI America™

CAS: 20779-13-9 Molecular Formula: C12H12O6S2 Molecular Weight (g/mol): 316.342 MDL Number: MFCD00059544 InChI Key: HCXPJMZQMWIBMO-UHFFFAOYSA-N Synonym: 1,5-Naphthalenedisulfonic Acid Dimethyl Ester PubChem CID: 245329 IUPAC Name: dimethyl naphthalene-1,5-disulfonate SMILES: COS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC

PubChem CID 245329
CAS 20779-13-9
Molecular Weight (g/mol) 316.342
MDL Number MFCD00059544
SMILES COS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(=O)(=O)OC
Synonym 1,5-Naphthalenedisulfonic Acid Dimethyl Ester
IUPAC Name dimethyl naphthalene-1,5-disulfonate
InChI Key HCXPJMZQMWIBMO-UHFFFAOYSA-N
Molecular Formula C12H12O6S2
15

5-Amino-3-(4-methoxyphenyl)-1-phenylpyrazole 98.0+%, TCI America™

CAS: 19652-13-2 Molecular Formula: C16H15N3O Molecular Weight (g/mol): 265.32 MDL Number: MFCD00197061 InChI Key: LMLGFNHDEGGHOJ-UHFFFAOYSA-N PubChem CID: 4056290 IUPAC Name: 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5-amine SMILES: COC1=CC=C(C=C1)C1=NN(C(N)=C1)C1=CC=CC=C1

PubChem CID 4056290
CAS 19652-13-2
Molecular Weight (g/mol) 265.32
MDL Number MFCD00197061
SMILES COC1=CC=C(C=C1)C1=NN(C(N)=C1)C1=CC=CC=C1
IUPAC Name 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5-amine
InChI Key LMLGFNHDEGGHOJ-UHFFFAOYSA-N
Molecular Formula C16H15N3O