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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.
Aminobenzoic acids and derivatives (22)
Hydroxybenzoic Acid Derivatives (20)
Benzyl Derivatives (18)
Phenylpropenes (15)
Fluorobenzenes (6)
Phenoxy compounds (6)
Benzoyl derivatives (5)
Bromobenzenes (5)
Methoxybenzenes (5)
Phenylpropanes (5)
Aniline and substituted anilines (4)
Diphenylethers (4)
Trifluoromethylbenzenes (4)
Aminotoluenes (3)
Cumenes (2)
Diphenylmethanes (2)
Iodobenzenes (2)
Terphenyls (2)
Benzophenones (1)
Phenylhydrazines (1)
Phenylmethylamines (1)
Phenylpropylamines (1)

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1 – 15 of 116 results
1

3,5-Diaminobenzoic Acid 98.0+%, TCI America™

CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O

PubChem CID 12062
CAS 535-87-5
Molecular Weight (g/mol) 152.153
MDL Number MFCD00007807
SMILES C1=C(C=C(C=C1N)N)C(=O)O
Synonym benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid
IUPAC Name 3,5-diaminobenzoic acid
InChI Key UENRXLSRMCSUSN-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
2

3,5-Dinitroaniline 98.0+%, TCI America™

CAS: 618-87-1 Molecular Formula: C6H5N3O4 Molecular Weight (g/mol): 183.123 MDL Number: MFCD00007263 InChI Key: MPBZUKLDHPOCLS-UHFFFAOYSA-N PubChem CID: 12068 IUPAC Name: 3,5-dinitroaniline SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N

PubChem CID 12068
CAS 618-87-1
Molecular Weight (g/mol) 183.123
MDL Number MFCD00007263
SMILES C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
IUPAC Name 3,5-dinitroaniline
InChI Key MPBZUKLDHPOCLS-UHFFFAOYSA-N
Molecular Formula C6H5N3O4
3

3,5,4'-Tribromosalicylanilide 98.0+%, TCI America™

CAS: 87-10-5 Molecular Formula: C13H8Br3NO2 Molecular Weight (g/mol): 449.92 MDL Number: MFCD00045740 InChI Key: KVSKGMLNBAPGKH-UHFFFAOYSA-N PubChem CID: 14868 ChEBI: CHEBI:127105 IUPAC Name: 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide SMILES: OC1=C(Br)C=C(Br)C=C1C(=O)NC1=CC=C(Br)C=C1

PubChem CID 14868
CAS 87-10-5
Molecular Weight (g/mol) 449.92
ChEBI CHEBI:127105
MDL Number MFCD00045740
SMILES OC1=C(Br)C=C(Br)C=C1C(=O)NC1=CC=C(Br)C=C1
IUPAC Name 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
InChI Key KVSKGMLNBAPGKH-UHFFFAOYSA-N
Molecular Formula C13H8Br3NO2
4

4-Benzyloxy-3-methoxybenzaldehyde 98.0+%, TCI America™

CAS: 2426-87-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00003365 InChI Key: JSHLOPGSDZTEGQ-UHFFFAOYSA-N Synonym: 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde PubChem CID: 75506 IUPAC Name: 4-(benzyloxy)-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1

PubChem CID 75506
CAS 2426-87-1
Molecular Weight (g/mol) 242.27
MDL Number MFCD00003365
SMILES COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1
Synonym 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde
IUPAC Name 4-(benzyloxy)-3-methoxybenzaldehyde
InChI Key JSHLOPGSDZTEGQ-UHFFFAOYSA-N
Molecular Formula C15H14O3
5

4-Allyloxy-2-hydroxybenzophenone 98.0+%, TCI America™

CAS: 2549-87-3 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.29 MDL Number: MFCD00191713 InChI Key: GVZIBGFELWPEOC-UHFFFAOYSA-N PubChem CID: 75689 IUPAC Name: 2-benzoyl-5-(prop-2-en-1-yloxy)phenol SMILES: OC1=CC(OCC=C)=CC=C1C(=O)C1=CC=CC=C1

PubChem CID 75689
CAS 2549-87-3
Molecular Weight (g/mol) 254.29
MDL Number MFCD00191713
SMILES OC1=CC(OCC=C)=CC=C1C(=O)C1=CC=CC=C1
IUPAC Name 2-benzoyl-5-(prop-2-en-1-yloxy)phenol
InChI Key GVZIBGFELWPEOC-UHFFFAOYSA-N
Molecular Formula C16H14O3
6

2,3,5-Trifluorobenzoic Acid 98.0+%, TCI America™

CAS: 654-87-5 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.09 MDL Number: MFCD00061200 InChI Key: CPZROMDDCPPFOO-UHFFFAOYSA-N Synonym: 2,3,5-trilfluorobenzoic acid,benzoic acid, 2,3,5-trifluoro,pubchem1401,acmc-209nr1,2,3,5-trifluorobenzoicacid,ksc622o6j,2,3,5-trifluoro-benzoic acid,rarechem al bo 0710,benzoic acid,2,3,5-trifluoro,cpzromddcppfoo-uhfffaoysa PubChem CID: 2776991 IUPAC Name: 2,3,5-trifluorobenzoic acid SMILES: OC(=O)C1=CC(F)=CC(F)=C1F

PubChem CID 2776991
CAS 654-87-5
Molecular Weight (g/mol) 176.09
MDL Number MFCD00061200
SMILES OC(=O)C1=CC(F)=CC(F)=C1F
Synonym 2,3,5-trilfluorobenzoic acid,benzoic acid, 2,3,5-trifluoro,pubchem1401,acmc-209nr1,2,3,5-trifluorobenzoicacid,ksc622o6j,2,3,5-trifluoro-benzoic acid,rarechem al bo 0710,benzoic acid,2,3,5-trifluoro,cpzromddcppfoo-uhfffaoysa
IUPAC Name 2,3,5-trifluorobenzoic acid
InChI Key CPZROMDDCPPFOO-UHFFFAOYSA-N
Molecular Formula C7H3F3O2
7

4-Amino-3-fluorobenzoic Acid 98.0+%, TCI America™

CAS: 455-87-8 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD01660374 InChI Key: JSKXHTHMCCDEGD-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminobenzoic acid,benzoic acid, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarboxylic acid,4-amino-3-fluoro-benzoic acid,4-amino-3-fluorobenzoicacid,pubchem3524,wln: zr bf dvq,acmc-209k3i,3-14-00-01153 beilstein handbook reference,buttpark 44\09-60 PubChem CID: 9971 IUPAC Name: 4-amino-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)N

PubChem CID 9971
CAS 455-87-8
Molecular Weight (g/mol) 155.128
MDL Number MFCD01660374
SMILES C1=CC(=C(C=C1C(=O)O)F)N
Synonym 3-fluoro-4-aminobenzoic acid,benzoic acid, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarboxylic acid,4-amino-3-fluoro-benzoic acid,4-amino-3-fluorobenzoicacid,pubchem3524,wln: zr bf dvq,acmc-209k3i,3-14-00-01153 beilstein handbook reference,buttpark 44\09-60
IUPAC Name 4-amino-3-fluorobenzoic acid
InChI Key JSKXHTHMCCDEGD-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
8

(Benzyloxy)acetaldehyde (stabilized with Catechol) 95.0+%, TCI America™

CAS: 60656-87-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00191779 InChI Key: NFNOAHXEQXMCGT-UHFFFAOYSA-N Synonym: 2-benzyloxy acetaldehyde,benzyloxyacetaldehyde,benzyloxy acetaldehyde,phenylmethoxy acetaldehyde,acetaldehyde, phenylmethoxy,acetaldehyde,2-phenylmethoxy,acmc-20ahpl,benzyloxy-acetaldehyde,2-phenylmethoxyethanal PubChem CID: 108989 IUPAC Name: 2-(benzyloxy)acetaldehyde SMILES: O=CCOCC1=CC=CC=C1

PubChem CID 108989
CAS 60656-87-3
Molecular Weight (g/mol) 150.18
MDL Number MFCD00191779
SMILES O=CCOCC1=CC=CC=C1
Synonym 2-benzyloxy acetaldehyde,benzyloxyacetaldehyde,benzyloxy acetaldehyde,phenylmethoxy acetaldehyde,acetaldehyde, phenylmethoxy,acetaldehyde,2-phenylmethoxy,acmc-20ahpl,benzyloxy-acetaldehyde,2-phenylmethoxyethanal
IUPAC Name 2-(benzyloxy)acetaldehyde
InChI Key NFNOAHXEQXMCGT-UHFFFAOYSA-N
Molecular Formula C9H10O2
9

2,3,4,5,6-Pentabromotoluene 98.0+%, TCI America™

CAS: 87-83-2 Molecular Formula: C7H3Br5 Molecular Weight (g/mol): 486.621 MDL Number: MFCD00000060 InChI Key: OZHJEQVYCBTHJT-UHFFFAOYSA-N PubChem CID: 6906 IUPAC Name: 1,2,3,4,5-pentabromo-6-methylbenzene SMILES: CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br

PubChem CID 6906
CAS 87-83-2
Molecular Weight (g/mol) 486.621
MDL Number MFCD00000060
SMILES CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
IUPAC Name 1,2,3,4,5-pentabromo-6-methylbenzene
InChI Key OZHJEQVYCBTHJT-UHFFFAOYSA-N
Molecular Formula C7H3Br5
10

1-Phenyl-2-propanol 98.0+%, TCI America™

CAS: 698-87-3 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004540 InChI Key: WYTRYIUQUDTGSX-UHFFFAOYNA-N Synonym: Benzylmethylcarbinol PubChem CID: 94185 IUPAC Name: 1-phenylpropan-2-ol SMILES: CC(O)CC1=CC=CC=C1

PubChem CID 94185
CAS 698-87-3
Molecular Weight (g/mol) 136.19
MDL Number MFCD00004540
SMILES CC(O)CC1=CC=CC=C1
Synonym Benzylmethylcarbinol
IUPAC Name 1-phenylpropan-2-ol
InChI Key WYTRYIUQUDTGSX-UHFFFAOYNA-N
Molecular Formula C9H12O
11

3,4'-Diaminodiphenyl Ether 97.0+%, TCI America™

CAS: 2657-87-6 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.241 MDL Number: MFCD00036097 InChI Key: ZBMISJGHVWNWTE-UHFFFAOYSA-N PubChem CID: 75871 IUPAC Name: 3-(4-aminophenoxy)aniline SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)N

PubChem CID 75871
CAS 2657-87-6
Molecular Weight (g/mol) 200.241
MDL Number MFCD00036097
SMILES C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)N
IUPAC Name 3-(4-aminophenoxy)aniline
InChI Key ZBMISJGHVWNWTE-UHFFFAOYSA-N
Molecular Formula C12H12N2O
12

Methyl 3-Amino-4-chlorobenzoate 98.0+%, TCI America™

CAS: 40872-87-5 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.607 InChI Key: LOCJPOYKBUUVKU-UHFFFAOYSA-N Synonym: 3-Amino-4-chlorobenzoic Acid Methyl Ester PubChem CID: 593055 IUPAC Name: methyl 3-amino-4-chlorobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)Cl)N

PubChem CID 593055
CAS 40872-87-5
Molecular Weight (g/mol) 185.607
SMILES COC(=O)C1=CC(=C(C=C1)Cl)N
Synonym 3-Amino-4-chlorobenzoic Acid Methyl Ester
IUPAC Name methyl 3-amino-4-chlorobenzoate
InChI Key LOCJPOYKBUUVKU-UHFFFAOYSA-N
Molecular Formula C8H8ClNO2
13

5,6-Difluoro-o-anisaldehyde 97.0+%, TCI America™

CAS: 187543-87-9 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD02093968 InChI Key: AKOJAYHBKACKNJ-UHFFFAOYSA-N Synonym: 5,6-difluoro-o-anisaldehyde,2,3-difluoro-6-methoxy-benzaldehyde,3,4-difluoro-2-formylanisole,pubchem2902,acmc-1bwkg,2-methoxy-5,6-difluorobenzaldehyde,2-methoxy-5,6-difluoro-benzaldehyde,2,3-difluoro-6-methyloxy benzaldehyde,benzaldehyde, 2,3-difluoro-6-methoxy,2,3-bis fluoranyl-6-methoxy-benzaldehyde PubChem CID: 2774112 IUPAC Name: 2,3-difluoro-6-methoxybenzaldehyde SMILES: COC1=C(C(=C(C=C1)F)F)C=O

PubChem CID 2774112
CAS 187543-87-9
Molecular Weight (g/mol) 172.131
MDL Number MFCD02093968
SMILES COC1=C(C(=C(C=C1)F)F)C=O
Synonym 5,6-difluoro-o-anisaldehyde,2,3-difluoro-6-methoxy-benzaldehyde,3,4-difluoro-2-formylanisole,pubchem2902,acmc-1bwkg,2-methoxy-5,6-difluorobenzaldehyde,2-methoxy-5,6-difluoro-benzaldehyde,2,3-difluoro-6-methyloxy benzaldehyde,benzaldehyde, 2,3-difluoro-6-methoxy,2,3-bis fluoranyl-6-methoxy-benzaldehyde
IUPAC Name 2,3-difluoro-6-methoxybenzaldehyde
InChI Key AKOJAYHBKACKNJ-UHFFFAOYSA-N
Molecular Formula C8H6F2O2
14

2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile 98.0+%, TCI America™

CAS: 80866-87-1 Molecular Formula: C10H8F3NO Molecular Weight (g/mol): 215.175 MDL Number: MFCD00001844 InChI Key: UBOJBAYKXZRZHI-UHFFFAOYSA-N Synonym: 2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-methoxy-alpha-trifluoromethyl phenylacetonitrile,methoxyphenyl trifluoromethyl acetonitrile,acmc-1bl9n,-a-methoxy-a-trifluoromethylphenylacetonitrile,+/--a-methoxy-a-trifluoromethylphenylacetonitrile,#,+/--2-methoxy-2-trifluoromethyl phenylacetonitrile,+\--2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-trifluoromethyl-alpha-methoxybenzeneacetonitrile PubChem CID: 589652 IUPAC Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile SMILES: COC(C#N)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 589652
CAS 80866-87-1
Molecular Weight (g/mol) 215.175
MDL Number MFCD00001844
SMILES COC(C#N)(C1=CC=CC=C1)C(F)(F)F
Synonym 2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-methoxy-alpha-trifluoromethyl phenylacetonitrile,methoxyphenyl trifluoromethyl acetonitrile,acmc-1bl9n,-a-methoxy-a-trifluoromethylphenylacetonitrile,+/--a-methoxy-a-trifluoromethylphenylacetonitrile,#,+/--2-methoxy-2-trifluoromethyl phenylacetonitrile,+\--2-methoxy-2-phenyl-3,3,3-trifluoropropionitrile,alpha-trifluoromethyl-alpha-methoxybenzeneacetonitrile
IUPAC Name 3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile
InChI Key UBOJBAYKXZRZHI-UHFFFAOYSA-N
Molecular Formula C10H8F3NO
15

4-Methyl-N1-(3-phenylpropyl)-1,2-phenylenediamine 98.0+%, TCI America™

CAS: 749886-87-1 Molecular Formula: C16H20N2 Molecular Weight (g/mol): 240.35 MDL Number: MFCD09753595 InChI Key: YMFNPBSZFWXMAD-UHFFFAOYSA-N Synonym: JSH-23 PubChem CID: 16760588 IUPAC Name: 4-methyl-N1-(3-phenylpropyl)benzene-1,2-diamine SMILES: CC1=CC(N)=C(NCCCC2=CC=CC=C2)C=C1

PubChem CID 16760588
CAS 749886-87-1
Molecular Weight (g/mol) 240.35
MDL Number MFCD09753595
SMILES CC1=CC(N)=C(NCCCC2=CC=CC=C2)C=C1
Synonym JSH-23
IUPAC Name 4-methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
InChI Key YMFNPBSZFWXMAD-UHFFFAOYSA-N
Molecular Formula C16H20N2