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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 (203)
Phenols (31)
Naphthalenes (28)
Unsubstituted Phenols (6)
Fluorenes (4)
Tetralins (2)
Thiophenols (2)
Phenol esters (1)

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1 – 15 of 244 results
1

2-Chlorobenzoic Acid 98.0+%, TCI America™

CAS: 118-91-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002412 InChI Key: IKCLCGXPQILATA-UHFFFAOYSA-N Synonym: o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate PubChem CID: 8374 ChEBI: CHEBI:30793 IUPAC Name: 2-chlorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Cl

PubChem CID 8374
CAS 118-91-2
Molecular Weight (g/mol) 156.565
ChEBI CHEBI:30793
MDL Number MFCD00002412
SMILES C1=CC=C(C(=C1)C(=O)O)Cl
Synonym o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate
IUPAC Name 2-chlorobenzoic acid
InChI Key IKCLCGXPQILATA-UHFFFAOYSA-N
Molecular Formula C7H5ClO2
2

2-Chloronaphthalene 98.0+%, TCI America™

CAS: 91-58-7 Molecular Formula: C10H7Cl Molecular Weight (g/mol): 162.616 MDL Number: MFCD00035731 InChI Key: CGYGETOMCSJHJU-UHFFFAOYSA-N Synonym: naphthalene, 2-chloro,2-chloro naphthalene,beta-chloronaphthalene,halowax,2-chlornaftalen,rcra waste number u047,2-chloro-naphthalene,.beta.-chloronaphthalene,2-chlornaftalen czech,unii-49o81u3iti PubChem CID: 7056 IUPAC Name: 2-chloronaphthalene SMILES: C1=CC=C2C=C(C=CC2=C1)Cl

PubChem CID 7056
CAS 91-58-7
Molecular Weight (g/mol) 162.616
MDL Number MFCD00035731
SMILES C1=CC=C2C=C(C=CC2=C1)Cl
Synonym naphthalene, 2-chloro,2-chloro naphthalene,beta-chloronaphthalene,halowax,2-chlornaftalen,rcra waste number u047,2-chloro-naphthalene,.beta.-chloronaphthalene,2-chlornaftalen czech,unii-49o81u3iti
IUPAC Name 2-chloronaphthalene
InChI Key CGYGETOMCSJHJU-UHFFFAOYSA-N
Molecular Formula C10H7Cl
3

2,3-Difluorobenzaldehyde 97.0+%, TCI America™

CAS: 2646-91-5 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010292 InChI Key: WDBAXYQUOZDFOJ-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3-difluoro,2,3-difluoro benzaldehyde,2,3-difluoro-benzaldehyde,difluoro-benzaldehyde,pubchem1436,2,3 difluorobenzaldehyde,acmc-1cr6r,2,3-difluorobenzaldehyde?,2,3-difluorobenzaldehyde,ksc493k8r PubChem CID: 137664 IUPAC Name: 2,3-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)F)F)C=O

PubChem CID 137664
CAS 2646-91-5
Molecular Weight (g/mol) 142.105
MDL Number MFCD00010292
SMILES C1=CC(=C(C(=C1)F)F)C=O
Synonym benzaldehyde, 2,3-difluoro,2,3-difluoro benzaldehyde,2,3-difluoro-benzaldehyde,difluoro-benzaldehyde,pubchem1436,2,3 difluorobenzaldehyde,acmc-1cr6r,2,3-difluorobenzaldehyde?,2,3-difluorobenzaldehyde,ksc493k8r
IUPAC Name 2,3-difluorobenzaldehyde
InChI Key WDBAXYQUOZDFOJ-UHFFFAOYSA-N
Molecular Formula C7H4F2O
4

2-Methyl-5-nitrobenzaldehyde 98.0+%, TCI America™

CAS: 16634-91-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD03840506 InChI Key: JLFWTLNLOSUFMU-UHFFFAOYSA-N PubChem CID: 12654145 IUPAC Name: 2-methyl-5-nitrobenzaldehyde SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C=O

PubChem CID 12654145
CAS 16634-91-6
Molecular Weight (g/mol) 165.148
MDL Number MFCD03840506
SMILES CC1=C(C=C(C=C1)[N+](=O)[O-])C=O
IUPAC Name 2-methyl-5-nitrobenzaldehyde
InChI Key JLFWTLNLOSUFMU-UHFFFAOYSA-N
Molecular Formula C8H7NO3
5

2,2',7,7'-Tetrabromo-9,9'-bifluorenylidene 98.0+%, TCI America™

CAS: 27192-91-2 Molecular Formula: C26H12Br4 Molecular Weight (g/mol): 643.998 InChI Key: ZPFZLDRAZNLKJI-UHFFFAOYSA-N PubChem CID: 13806537 IUPAC Name: 2,7-dibromo-9-(2,7-dibromofluoren-9-ylidene)fluorene SMILES: C1=CC2=C(C=C1Br)C(=C3C4=C(C=CC(=C4)Br)C5=C3C=C(C=C5)Br)C6=C2C=CC(=C6)Br

PubChem CID 13806537
CAS 27192-91-2
Molecular Weight (g/mol) 643.998
SMILES C1=CC2=C(C=C1Br)C(=C3C4=C(C=CC(=C4)Br)C5=C3C=C(C=C5)Br)C6=C2C=CC(=C6)Br
IUPAC Name 2,7-dibromo-9-(2,7-dibromofluoren-9-ylidene)fluorene
InChI Key ZPFZLDRAZNLKJI-UHFFFAOYSA-N
Molecular Formula C26H12Br4
6

1-Nitroso-2-naphthol 98.0+%, TCI America™

CAS: 131-91-9 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.171 MDL Number: MFCD00003884 InChI Key: YXAOOTNFFAQIPZ-UHFFFAOYSA-N Synonym: 1-nitroso-2-naphthol,2-naphthalenol, 1-nitroso,nitroso-beta-naphthol,2-naphthol, 1-nitroso,1-nitroso-2-naftol,zelen moridlova 4,zelen moridlova 4 czech,alpha-nitroso-beta-naphthol,1-nitroso-2-naftol czech,unii-757i55u2qx PubChem CID: 8580 IUPAC Name: 1-nitrosonaphthalen-2-ol SMILES: C1=CC=C2C(=C1)C=CC(=C2N=O)O

PubChem CID 8580
CAS 131-91-9
Molecular Weight (g/mol) 173.171
MDL Number MFCD00003884
SMILES C1=CC=C2C(=C1)C=CC(=C2N=O)O
Synonym 1-nitroso-2-naphthol,2-naphthalenol, 1-nitroso,nitroso-beta-naphthol,2-naphthol, 1-nitroso,1-nitroso-2-naftol,zelen moridlova 4,zelen moridlova 4 czech,alpha-nitroso-beta-naphthol,1-nitroso-2-naftol czech,unii-757i55u2qx
IUPAC Name 1-nitrosonaphthalen-2-ol
InChI Key YXAOOTNFFAQIPZ-UHFFFAOYSA-N
Molecular Formula C10H7NO2
7

2,4-Dimethoxybenzoic Acid 99.0+%, TCI America™

CAS: 91-52-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002434 InChI Key: GPVDHNVGGIAOQT-UHFFFAOYSA-N Synonym: benzoic acid, 2,4-dimethoxy,2,4-dimethoxybenzoicacid,2,4-dimethoxy benzoic acid,2,4-dimethoxybenzoic,pubchem4949,rarechem al bo 0028,2,4-dimethoxy-benzoicaci,2,4 dimethoxybenzoic acid,2.4-dimethoxybenzoic acid,dimethoxybenzoic-2,4 acid PubChem CID: 7052 IUPAC Name: 2,4-dimethoxybenzoic acid SMILES: COC1=CC(=C(C=C1)C(=O)O)OC

PubChem CID 7052
CAS 91-52-1
Molecular Weight (g/mol) 182.175
MDL Number MFCD00002434
SMILES COC1=CC(=C(C=C1)C(=O)O)OC
Synonym benzoic acid, 2,4-dimethoxy,2,4-dimethoxybenzoicacid,2,4-dimethoxy benzoic acid,2,4-dimethoxybenzoic,pubchem4949,rarechem al bo 0028,2,4-dimethoxy-benzoicaci,2,4 dimethoxybenzoic acid,2.4-dimethoxybenzoic acid,dimethoxybenzoic-2,4 acid
IUPAC Name 2,4-dimethoxybenzoic acid
InChI Key GPVDHNVGGIAOQT-UHFFFAOYSA-N
Molecular Formula C9H10O4
8

2-Methoxy-4-nitrobenzenesulfonyl Chloride 98.0+%, TCI America™

CAS: 21320-91-2 Molecular Formula: C7H6ClNO5S Molecular Weight (g/mol): 251.64 MDL Number: MFCD03094697 InChI Key: QECYXMKYZQXEHM-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrobenzene-1-sulfonyl chloride,2-methoxy-4-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methoxy-4-nitro,pubchem11714,acmc-1ck5c,ksc207c7t,2-chlorosulphonyl-5-nitroanisole,chloro 2-methoxy-4-nitrophenyl sulfone,2-methoxy-4-nitrobenzensulfonyl chloride,2-methoxy-4-nitrophenylsulfonyl chloride PubChem CID: 309458 IUPAC Name: 2-methoxy-4-nitrobenzene-1-sulfonyl chloride SMILES: COC1=CC(=CC=C1S(Cl)(=O)=O)[N+]([O-])=O

PubChem CID 309458
CAS 21320-91-2
Molecular Weight (g/mol) 251.64
MDL Number MFCD03094697
SMILES COC1=CC(=CC=C1S(Cl)(=O)=O)[N+]([O-])=O
Synonym 2-methoxy-4-nitrobenzene-1-sulfonyl chloride,2-methoxy-4-nitrobenzenesulfonylchloride,benzenesulfonyl chloride, 2-methoxy-4-nitro,pubchem11714,acmc-1ck5c,ksc207c7t,2-chlorosulphonyl-5-nitroanisole,chloro 2-methoxy-4-nitrophenyl sulfone,2-methoxy-4-nitrobenzensulfonyl chloride,2-methoxy-4-nitrophenylsulfonyl chloride
IUPAC Name 2-methoxy-4-nitrobenzene-1-sulfonyl chloride
InChI Key QECYXMKYZQXEHM-UHFFFAOYSA-N
Molecular Formula C7H6ClNO5S
9

(R)-4-Benzyloxy-1,2-butanediol 97.0+%, TCI America™

CAS: 86990-91-2 Molecular Formula: C11H16O3 Molecular Weight (g/mol): 196.246 InChI Key: TVRPDIKPMQUOSL-LLVKDONJSA-N PubChem CID: 10910454 IUPAC Name: (2R)-4-phenylmethoxybutane-1,2-diol SMILES: C1=CC=C(C=C1)COCCC(CO)O

PubChem CID 10910454
CAS 86990-91-2
Molecular Weight (g/mol) 196.246
SMILES C1=CC=C(C=C1)COCCC(CO)O
IUPAC Name (2R)-4-phenylmethoxybutane-1,2-diol
InChI Key TVRPDIKPMQUOSL-LLVKDONJSA-N
Molecular Formula C11H16O3
10

2-Chloro-5-nitrobenzoyl Chloride 98.0+%, TCI America™

CAS: 25784-91-2 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.005 MDL Number: MFCD00059180 InChI Key: OGLKKYALUKXVPQ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoylchloride,benzoyl chloride, 2-chloro-5-nitro,acmc-1cq6z,2-chloro-5nitrobenzoyl chloride,2-chloro-5-nitro-benzoylchlorid,2-chloro-5-nitro-benzoic chloride,2-chloro-5-nitro-benzoyl chloride,benzoyl chloride,2-chloro-5-nitro,2-chloranyl-5-nitro-benzoyl chloride,2-chloro-5-nitrobenzoic acid chloride PubChem CID: 117637 IUPAC Name: 2-chloro-5-nitrobenzoyl chloride SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)Cl

PubChem CID 117637
CAS 25784-91-2
Molecular Weight (g/mol) 220.005
MDL Number MFCD00059180
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)Cl
Synonym 2-chloro-5-nitrobenzoylchloride,benzoyl chloride, 2-chloro-5-nitro,acmc-1cq6z,2-chloro-5nitrobenzoyl chloride,2-chloro-5-nitro-benzoylchlorid,2-chloro-5-nitro-benzoic chloride,2-chloro-5-nitro-benzoyl chloride,benzoyl chloride,2-chloro-5-nitro,2-chloranyl-5-nitro-benzoyl chloride,2-chloro-5-nitrobenzoic acid chloride
IUPAC Name 2-chloro-5-nitrobenzoyl chloride
InChI Key OGLKKYALUKXVPQ-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NO3
11

6-Bromo-2-naphthol 98.0+%, TCI America™

CAS: 15231-91-1 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.069 MDL Number: MFCD00004081 InChI Key: YLDFTMJPQJXGSS-UHFFFAOYSA-N Synonym: 6-bromo-2-naphthol,2-naphthalenol, 6-bromo,6-bromo-naphthalen-2-ol,6-bromo-2-naphthalenol,bromo-6 naphtol-2,6-bromo2-hydroxynaphthalene,unii-87f10ahz3o,bromo-6 naphtol-2 french,2-naphthol, 6-bromo,6-bromo-beta-naphthol PubChem CID: 27144 ChEBI: CHEBI:34466 IUPAC Name: 6-bromonaphthalen-2-ol SMILES: C1=CC2=C(C=CC(=C2)Br)C=C1O

PubChem CID 27144
CAS 15231-91-1
Molecular Weight (g/mol) 223.069
ChEBI CHEBI:34466
MDL Number MFCD00004081
SMILES C1=CC2=C(C=CC(=C2)Br)C=C1O
Synonym 6-bromo-2-naphthol,2-naphthalenol, 6-bromo,6-bromo-naphthalen-2-ol,6-bromo-2-naphthalenol,bromo-6 naphtol-2,6-bromo2-hydroxynaphthalene,unii-87f10ahz3o,bromo-6 naphtol-2 french,2-naphthol, 6-bromo,6-bromo-beta-naphthol
IUPAC Name 6-bromonaphthalen-2-ol
InChI Key YLDFTMJPQJXGSS-UHFFFAOYSA-N
Molecular Formula C10H7BrO
12

2-Nitroanisole 98.0+%, TCI America™

CAS: 91-23-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007096 InChI Key: CFBYEGUGFPZCNF-UHFFFAOYSA-N Synonym: 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene PubChem CID: 7048 ChEBI: CHEBI:48722 IUPAC Name: 1-methoxy-2-nitrobenzene SMILES: COC1=CC=CC=C1[N+]([O-])=O

PubChem CID 7048
CAS 91-23-6
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:48722
MDL Number MFCD00007096
SMILES COC1=CC=CC=C1[N+]([O-])=O
Synonym 2-nitroanisole,o-nitroanisole,anisole, o-nitro,1-nitro-2-methoxybenzene,2-methoxynitrobenzene,o-nitrophenyl methyl ether,benzene, 1-methoxy-2-nitro,2-methoxy-1-nitrobenzene,benzene, methoxynitro,o-nitro methoxy benzene
IUPAC Name 1-methoxy-2-nitrobenzene
InChI Key CFBYEGUGFPZCNF-UHFFFAOYSA-N
Molecular Formula C7H7NO3
13

9,9-Di-n-octylfluorene-2,7-dicarboxaldehyde 98.0+%, TCI America™

CAS: 380600-91-9 Molecular Formula: C31H42O2 Molecular Weight (g/mol): 446.675 InChI Key: ZVQJNVBHJBLVSX-UHFFFAOYSA-N PubChem CID: 53427856 IUPAC Name: 9,9-dioctylfluorene-2,7-dicarbaldehyde SMILES: CCCCCCCCC1(C2=C(C=CC(=C2)C=O)C3=C1C=C(C=C3)C=O)CCCCCCCC

PubChem CID 53427856
CAS 380600-91-9
Molecular Weight (g/mol) 446.675
SMILES CCCCCCCCC1(C2=C(C=CC(=C2)C=O)C3=C1C=C(C=C3)C=O)CCCCCCCC
IUPAC Name 9,9-dioctylfluorene-2,7-dicarbaldehyde
InChI Key ZVQJNVBHJBLVSX-UHFFFAOYSA-N
Molecular Formula C31H42O2
14

2-Naphthalenethiol 98.0+%, TCI America™

CAS: 91-60-1 Molecular Formula: C10H8S Molecular Weight (g/mol): 160.234 MDL Number: MFCD00004086 InChI Key: RFCQDOVPMUSZMN-UHFFFAOYSA-N Synonym: 2-naphthalenethiol,2-mercaptonaphthalene,2-thionaphthol,thionaphthol,2-naphthyl mercaptan,vulcamel tbn,2-naphthyl thiol,renacit 1,rpa no. 2,rpa 2 PubChem CID: 7058 IUPAC Name: naphthalene-2-thiol SMILES: C1=CC=C2C=C(C=CC2=C1)S

PubChem CID 7058
CAS 91-60-1
Molecular Weight (g/mol) 160.234
MDL Number MFCD00004086
SMILES C1=CC=C2C=C(C=CC2=C1)S
Synonym 2-naphthalenethiol,2-mercaptonaphthalene,2-thionaphthol,thionaphthol,2-naphthyl mercaptan,vulcamel tbn,2-naphthyl thiol,renacit 1,rpa no. 2,rpa 2
IUPAC Name naphthalene-2-thiol
InChI Key RFCQDOVPMUSZMN-UHFFFAOYSA-N
Molecular Formula C10H8S
15

2-Bromo-5-(trifluoromethyl)benzaldehyde 97.0+%, TCI America™

CAS: 102684-91-3 Molecular Formula: C8H4BrF3O Molecular Weight (g/mol): 253.02 MDL Number: MFCD04973760 InChI Key: CSOBJYGHQOLWOD-UHFFFAOYSA-N Synonym: 2-bromo-5-trifluoromethyl benzaldehyde,4-bromo-3-formylbenzotrifluoride,2-bromo-5-1,1-dimethylethyl-benzaldehyde,benzaldehyde, 2-bromo-5-1,1-dimethylethyl,benzaldehyde, 2-bromo-5-trifluoromethyl,paragos 530289,pubchem1428,pubchem4179,ksc498c1d,bromo 5-trifluoromethyl benzaldehyde PubChem CID: 7018047 IUPAC Name: 2-bromo-5-(trifluoromethyl)benzaldehyde SMILES: FC(F)(F)C1=CC(C=O)=C(Br)C=C1

PubChem CID 7018047
CAS 102684-91-3
Molecular Weight (g/mol) 253.02
MDL Number MFCD04973760
SMILES FC(F)(F)C1=CC(C=O)=C(Br)C=C1
Synonym 2-bromo-5-trifluoromethyl benzaldehyde,4-bromo-3-formylbenzotrifluoride,2-bromo-5-1,1-dimethylethyl-benzaldehyde,benzaldehyde, 2-bromo-5-1,1-dimethylethyl,benzaldehyde, 2-bromo-5-trifluoromethyl,paragos 530289,pubchem1428,pubchem4179,ksc498c1d,bromo 5-trifluoromethyl benzaldehyde
IUPAC Name 2-bromo-5-(trifluoromethyl)benzaldehyde
InChI Key CSOBJYGHQOLWOD-UHFFFAOYSA-N
Molecular Formula C8H4BrF3O