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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 (88)
Phenols (8)
Unsubstituted Phenols (5)
Naphthalenes (4)
Fluorenes (2)
Anthracenes (1)

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1

Liquefied Phenol, USP, 89%, Spectrum™ Chemical
SDP

CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 MDL Number: MFCD00002143 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N IUPAC Name: phenol SMILES: OC1=CC=CC=C1

CAS 108-95-2
Molecular Weight (g/mol) 94.11
MDL Number MFCD00002143
SMILES OC1=CC=CC=C1
IUPAC Name phenol
InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula C6H6O
2

2-Nitrobenzaldehyde 99.0+%, TCI America™

CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]

PubChem CID 11101
CAS 552-89-6
Molecular Weight (g/mol) 151.121
ChEBI CHEBI:66927
MDL Number MFCD00007132
SMILES C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
Synonym o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde
IUPAC Name 2-nitrobenzaldehyde
InChI Key CMWKITSNTDAEDT-UHFFFAOYSA-N
Molecular Formula C7H5NO3
3

2-Fluorobenzylamine 98.0+%, TCI America™

CAS: 89-99-6 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 InChI Key: LRFWYBZWRQWZIM-UHFFFAOYSA-N Synonym: 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine PubChem CID: 66649 IUPAC Name: (2-fluorophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)F

PubChem CID 66649
CAS 89-99-6
Molecular Weight (g/mol) 125.146
SMILES C1=CC=C(C(=C1)CN)F
Synonym 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine
IUPAC Name (2-fluorophenyl)methanamine
InChI Key LRFWYBZWRQWZIM-UHFFFAOYSA-N
Molecular Formula C7H8FN
4

2,4-Dichloro-5-fluorobenzoic Acid 98.0+%, TCI America™

CAS: 86522-89-6 Molecular Formula: C7H2Cl2FO2 Molecular Weight (g/mol): 207.99 MDL Number: MFCD00075281 InChI Key: KZCWJHUTTSVCRO-UHFFFAOYSA-M Synonym: 2,4-dichloro-5-fluoro-benzoic acid,2,4-dichloro-5-fluoro benzoic acid,benzoic acid, 2,4-dichloro-5-fluoro,pubchem1338,maybridge1_002392,acmc-209qa7,ksc448a5p,rarechem al be 1219,timtec-bb sbb003459,2 4-dichloro-5-fluorobenzoic acid PubChem CID: 688138 IUPAC Name: 2,4-dichloro-5-fluorobenzoate SMILES: [O-]C(=O)C1=CC(F)=C(Cl)C=C1Cl

PubChem CID 688138
CAS 86522-89-6
Molecular Weight (g/mol) 207.99
MDL Number MFCD00075281
SMILES [O-]C(=O)C1=CC(F)=C(Cl)C=C1Cl
Synonym 2,4-dichloro-5-fluoro-benzoic acid,2,4-dichloro-5-fluoro benzoic acid,benzoic acid, 2,4-dichloro-5-fluoro,pubchem1338,maybridge1_002392,acmc-209qa7,ksc448a5p,rarechem al be 1219,timtec-bb sbb003459,2 4-dichloro-5-fluorobenzoic acid
IUPAC Name 2,4-dichloro-5-fluorobenzoate
InChI Key KZCWJHUTTSVCRO-UHFFFAOYSA-M
Molecular Formula C7H2Cl2FO2
5

5-Aminosalicylic Acid 98.0+%, TCI America™

CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O

PubChem CID 4075
CAS 89-57-6
Molecular Weight (g/mol) 153.137
ChEBI CHEBI:6775
MDL Number MFCD00007877
SMILES C1=CC(=C(C=C1N)C(=O)O)O
Synonym 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa
IUPAC Name 5-amino-2-hydroxybenzoic acid
InChI Key KBOPZPXVLCULAV-UHFFFAOYSA-N
Molecular Formula C7H7NO3
6

Terephthalaldehyde Mono(diethyl Acetal) 97.0+%, TCI America™

CAS: 81172-89-6 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00010217 InChI Key: HTMXMFARWHNJDW-UHFFFAOYSA-N Synonym: 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde PubChem CID: 595993 IUPAC Name: 4-(diethoxymethyl)benzaldehyde SMILES: CCOC(OCC)C1=CC=C(C=O)C=C1

PubChem CID 595993
CAS 81172-89-6
Molecular Weight (g/mol) 208.26
MDL Number MFCD00010217
SMILES CCOC(OCC)C1=CC=C(C=O)C=C1
Synonym 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde
IUPAC Name 4-(diethoxymethyl)benzaldehyde
InChI Key HTMXMFARWHNJDW-UHFFFAOYSA-N
Molecular Formula C12H16O3
7

4,4'-Dicarboxydiphenyl Ether 98.0+%, TCI America™

CAS: 2215-89-6 Molecular Formula: C14H10O5 Molecular Weight (g/mol): 258.229 MDL Number: MFCD00013988 InChI Key: WVDRSXGPQWNUBN-UHFFFAOYSA-N Synonym: 4,4'-oxybis benzoic acid,4,4'-oxydibenzoic acid,4,4'-oxybisbenzoic acid,4-4-carboxyphenoxy benzoic acid,benzoic acid, 4,4'-oxybis,4,4'-dicarboxydiphenyl ether,4,4-oxobisbenzoic acid,4,4'-diphenyl ether dicarboxylic acid,diphenyl ether 4,4'-dicarboxylic acid,pubchem9032 PubChem CID: 75183 IUPAC Name: 4-(4-carboxyphenoxy)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)C(=O)O

PubChem CID 75183
CAS 2215-89-6
Molecular Weight (g/mol) 258.229
MDL Number MFCD00013988
SMILES C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)C(=O)O
Synonym 4,4'-oxybis benzoic acid,4,4'-oxydibenzoic acid,4,4'-oxybisbenzoic acid,4-4-carboxyphenoxy benzoic acid,benzoic acid, 4,4'-oxybis,4,4'-dicarboxydiphenyl ether,4,4-oxobisbenzoic acid,4,4'-diphenyl ether dicarboxylic acid,diphenyl ether 4,4'-dicarboxylic acid,pubchem9032
IUPAC Name 4-(4-carboxyphenoxy)benzoic acid
InChI Key WVDRSXGPQWNUBN-UHFFFAOYSA-N
Molecular Formula C14H10O5
8

2-Chloro-5-methoxybenzoic Acid 98.0+%, TCI America™

CAS: 6280-89-3 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.59 MDL Number: MFCD00466261 InChI Key: AQHFCRYZABKUEV-UHFFFAOYSA-N Synonym: 2-chloro-5-methoxy-benzoic acid,6-chloro-m-anisic acid,benzoic acid, 2-chloro-5-methoxy,2-chloro-5-methoxybenzoicacid,pubchem4563,zlchem 1016,acmc-20a0mp,3-carboxy-4-chloroanisole,2-chloro-5-methoxybenzoic acid PubChem CID: 221503 IUPAC Name: 2-chloro-5-methoxybenzoic acid SMILES: COC1=CC=C(Cl)C(=C1)C(O)=O

PubChem CID 221503
CAS 6280-89-3
Molecular Weight (g/mol) 186.59
MDL Number MFCD00466261
SMILES COC1=CC=C(Cl)C(=C1)C(O)=O
Synonym 2-chloro-5-methoxy-benzoic acid,6-chloro-m-anisic acid,benzoic acid, 2-chloro-5-methoxy,2-chloro-5-methoxybenzoicacid,pubchem4563,zlchem 1016,acmc-20a0mp,3-carboxy-4-chloroanisole,2-chloro-5-methoxybenzoic acid
IUPAC Name 2-chloro-5-methoxybenzoic acid
InChI Key AQHFCRYZABKUEV-UHFFFAOYSA-N
Molecular Formula C8H7ClO3
9

Salicylhydroxamic Acid 98.0+%, TCI America™

CAS: 89-73-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00002110 InChI Key: HBROZNQEVUILML-UHFFFAOYSA-N Synonym: salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide PubChem CID: 66644 ChEBI: CHEBI:45615 IUPAC Name: N,2-dihydroxybenzamide SMILES: C1=CC=C(C(=C1)C(=O)NO)O

PubChem CID 66644
CAS 89-73-6
Molecular Weight (g/mol) 153.137
ChEBI CHEBI:45615
MDL Number MFCD00002110
SMILES C1=CC=C(C(=C1)C(=O)NO)O
Synonym salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide
IUPAC Name N,2-dihydroxybenzamide
InChI Key HBROZNQEVUILML-UHFFFAOYSA-N
Molecular Formula C7H7NO3
10

5-Aminosalicylic Acid 98.0+%, TCI America™

CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O

PubChem CID 4075
CAS 89-57-6
Molecular Weight (g/mol) 153.137
ChEBI CHEBI:6775
MDL Number MFCD00007877
SMILES C1=CC(=C(C=C1N)C(=O)O)O
Synonym 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa
IUPAC Name 5-amino-2-hydroxybenzoic acid
InChI Key KBOPZPXVLCULAV-UHFFFAOYSA-N
Molecular Formula C7H7NO3
11

2-Fluoro-6-methylaniline 98.0+%, TCI America™

CAS: 443-89-0 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.146 MDL Number: MFCD06658252 InChI Key: CMVJYZNBMRJICR-UHFFFAOYSA-N Synonym: 2-amino-3-fluorotoluene,3-fluoro-2-aminotoluene,6-fluoro-o-toluidine,2-fluoro-6-methyl-phenylamine,2-fluoro-6-methylbenzenamine,6-fluoro-2-methylphenylamine,benzenamine, 2-fluoro-6-methyl,pubchem4470,acmc-209jxr,2-fluoro-6-methyl aniline PubChem CID: 14155411 IUPAC Name: 2-fluoro-6-methylaniline SMILES: CC1=C(C(=CC=C1)F)N

PubChem CID 14155411
CAS 443-89-0
Molecular Weight (g/mol) 125.146
MDL Number MFCD06658252
SMILES CC1=C(C(=CC=C1)F)N
Synonym 2-amino-3-fluorotoluene,3-fluoro-2-aminotoluene,6-fluoro-o-toluidine,2-fluoro-6-methyl-phenylamine,2-fluoro-6-methylbenzenamine,6-fluoro-2-methylphenylamine,benzenamine, 2-fluoro-6-methyl,pubchem4470,acmc-209jxr,2-fluoro-6-methyl aniline
IUPAC Name 2-fluoro-6-methylaniline
InChI Key CMVJYZNBMRJICR-UHFFFAOYSA-N
Molecular Formula C7H8FN
12

Tetrabromohydroquinone 97.0+%, TCI America™

CAS: 2641-89-6 Molecular Formula: C6H2Br4O2 Molecular Weight (g/mol): 425.696 MDL Number: MFCD00013970 InChI Key: DTFQULSULHRJOA-UHFFFAOYSA-N Synonym: tetrabromohydroquinone,1,4-dihydroxytetrabromobenzene,tetrabromoquinol,2,3,5,6-tetrabromohydroquinone,2,3,5,6-tetrabromo-1,4-benzenediol,1,2-benzenediol,3,4,5,6-tetrabromo,1,4-benzenediol, 2,3,5,6-tetrabromo,1,2,4,5-tetrabromo-3,6-dihydroxybenzene PubChem CID: 75840 IUPAC Name: 2,3,5,6-tetrabromobenzene-1,4-diol SMILES: C1(=C(C(=C(C(=C1Br)Br)O)Br)Br)O

PubChem CID 75840
CAS 2641-89-6
Molecular Weight (g/mol) 425.696
MDL Number MFCD00013970
SMILES C1(=C(C(=C(C(=C1Br)Br)O)Br)Br)O
Synonym tetrabromohydroquinone,1,4-dihydroxytetrabromobenzene,tetrabromoquinol,2,3,5,6-tetrabromohydroquinone,2,3,5,6-tetrabromo-1,4-benzenediol,1,2-benzenediol,3,4,5,6-tetrabromo,1,4-benzenediol, 2,3,5,6-tetrabromo,1,2,4,5-tetrabromo-3,6-dihydroxybenzene
IUPAC Name 2,3,5,6-tetrabromobenzene-1,4-diol
InChI Key DTFQULSULHRJOA-UHFFFAOYSA-N
Molecular Formula C6H2Br4O2
13

4-Chloro-6-nitro-m-cresol 98.0+%, TCI America™

CAS: 7147-89-9 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.58 MDL Number: MFCD00007114 InChI Key: JBMGJOKJUYGIJH-UHFFFAOYSA-N PubChem CID: 23532 IUPAC Name: 4-chloro-5-methyl-2-nitrophenol SMILES: CC1=CC(O)=C(C=C1Cl)[N+]([O-])=O

PubChem CID 23532
CAS 7147-89-9
Molecular Weight (g/mol) 187.58
MDL Number MFCD00007114
SMILES CC1=CC(O)=C(C=C1Cl)[N+]([O-])=O
IUPAC Name 4-chloro-5-methyl-2-nitrophenol
InChI Key JBMGJOKJUYGIJH-UHFFFAOYSA-N
Molecular Formula C7H6ClNO3
14

5-Methylsalicylic Acid 98.0+%, TCI America™

CAS: 89-56-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002461 InChI Key: DLGBEGBHXSAQOC-UHFFFAOYSA-N Synonym: 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid PubChem CID: 6973 IUPAC Name: 2-hydroxy-5-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)O)C(=O)O

PubChem CID 6973
CAS 89-56-5
Molecular Weight (g/mol) 152.149
MDL Number MFCD00002461
SMILES CC1=CC(=C(C=C1)O)C(=O)O
Synonym 5-methylsalicylic acid,p-cresotic acid,p-cresotinic acid,6-hydroxy-m-toluic acid,p-homosalicylic acid,2,5-cresotic acid,benzoic acid, 2-hydroxy-5-methyl,5-methyl-2-hydroxybenzoic acid,6-hydroxy-3-methylbenzoic acid,alpha-cresotinic acid
IUPAC Name 2-hydroxy-5-methylbenzoic acid
InChI Key DLGBEGBHXSAQOC-UHFFFAOYSA-N
Molecular Formula C8H8O3
15

6-Azido-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-norleucine 98.0+%, TCI America™

CAS: 159610-89-6 Molecular Formula: C21H22N4O4 Molecular Weight (g/mol): 394.431 MDL Number: MFCD13182319 InChI Key: PJRFTUILPGJJIO-IBGZPJMESA-N Synonym: 6-Azido-N-Fmoc-L-norleucine PubChem CID: 25146063 IUPAC Name: (2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCN=[N+]=[N-])C(=O)O

PubChem CID 25146063
CAS 159610-89-6
Molecular Weight (g/mol) 394.431
MDL Number MFCD13182319
SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCCN=[N+]=[N-])C(=O)O
Synonym 6-Azido-N-Fmoc-L-norleucine
IUPAC Name (2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
InChI Key PJRFTUILPGJJIO-IBGZPJMESA-N
Molecular Formula C21H22N4O4