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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.
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5,341 – 5,355 of 75,002 results
5,341

Ethyl 6-Methylsalicylate 98.0+%, TCI America™

CAS: 6555-40-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD01194299 InChI Key: KWXBNUYCDMPLEQ-UHFFFAOYSA-N Synonym: Ethyl 2-Hydroxy-6-methylbenzoate, 2-Hydroxy-6-methylbenzoic Acid Ethyl Ester, 6-Methylsalicylic Acid Ethyl Ester PubChem CID: 584222 IUPAC Name: ethyl 2-hydroxy-6-methylbenzoate SMILES: CCOC(=O)C1=C(C=CC=C1O)C

PubChem CID 584222
CAS 6555-40-4
Molecular Weight (g/mol) 180.203
MDL Number MFCD01194299
SMILES CCOC(=O)C1=C(C=CC=C1O)C
Synonym Ethyl 2-Hydroxy-6-methylbenzoate, 2-Hydroxy-6-methylbenzoic Acid Ethyl Ester, 6-Methylsalicylic Acid Ethyl Ester
IUPAC Name ethyl 2-hydroxy-6-methylbenzoate
InChI Key KWXBNUYCDMPLEQ-UHFFFAOYSA-N
Molecular Formula C10H12O3
5,342

2-Iodobenzyl Alcohol 98.0+%, TCI America™

CAS: 5159-41-1 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00004610 InChI Key: WZCXOBMFBKSSFA-UHFFFAOYSA-N Synonym: 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol PubChem CID: 107629 IUPAC Name: (2-iodophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)I

PubChem CID 107629
CAS 5159-41-1
Molecular Weight (g/mol) 234.036
MDL Number MFCD00004610
SMILES C1=CC=C(C(=C1)CO)I
Synonym 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol
IUPAC Name (2-iodophenyl)methanol
InChI Key WZCXOBMFBKSSFA-UHFFFAOYSA-N
Molecular Formula C7H7IO
5,343

3,4-Dimethoxyphenylacetone 97.0+%, TCI America™

CAS: 776-99-8 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00008772 InChI Key: UMYZWICEDUEWIM-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone PubChem CID: 69896 IUPAC Name: 1-(3,4-dimethoxyphenyl)propan-2-one SMILES: COC1=CC=C(CC(C)=O)C=C1OC

PubChem CID 69896
CAS 776-99-8
Molecular Weight (g/mol) 194.23
MDL Number MFCD00008772
SMILES COC1=CC=C(CC(C)=O)C=C1OC
Synonym 3,4-dimethoxyphenylacetone,1-3,4-dimethoxyphenyl propan-2-one,3,4-dimethoxyphenyl acetone,veratryl-2-propanone,1-3,4-dimethoxyphenyl-2-propanone,veratryl acetone,3,4-dimethoxybenzyl methyl ketone,1-3,4-dimethoxyphenyl acetone,2-propanone, 1-3,4-dimethoxyphenyl,veratryl methyl ketone
IUPAC Name 1-(3,4-dimethoxyphenyl)propan-2-one
InChI Key UMYZWICEDUEWIM-UHFFFAOYSA-N
Molecular Formula C11H14O3
5,344

2-Chloro-3-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 957061-11-9 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD09258745 InChI Key: NEHJDQKHVZYUAA-UHFFFAOYSA-N Synonym: 2-Chloro-3-(trifluoromethyl)benzeneboronic Acid PubChem CID: 44558143 IUPAC Name: [2-chloro-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C(=CC=C1)C(F)(F)F)Cl)(O)O

PubChem CID 44558143
CAS 957061-11-9
Molecular Weight (g/mol) 224.37
MDL Number MFCD09258745
SMILES B(C1=C(C(=CC=C1)C(F)(F)F)Cl)(O)O
Synonym 2-Chloro-3-(trifluoromethyl)benzeneboronic Acid
IUPAC Name [2-chloro-3-(trifluoromethyl)phenyl]boronic acid
InChI Key NEHJDQKHVZYUAA-UHFFFAOYSA-N
Molecular Formula C7H5BClF3O2
5,345

4-(4-Phenylbutoxy)benzoic Acid 98.0+%, TCI America™

CAS: 30131-16-9 Molecular Formula: C17H18O3 Molecular Weight (g/mol): 270.33 MDL Number: MFCD07787608 InChI Key: XWCWFMQMZZPALR-UHFFFAOYSA-N PubChem CID: 11043825 IUPAC Name: 4-(4-phenylbutoxy)benzoic acid SMILES: OC(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1

PubChem CID 11043825
CAS 30131-16-9
Molecular Weight (g/mol) 270.33
MDL Number MFCD07787608
SMILES OC(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
IUPAC Name 4-(4-phenylbutoxy)benzoic acid
InChI Key XWCWFMQMZZPALR-UHFFFAOYSA-N
Molecular Formula C17H18O3
5,346

1,3-Bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene 98.0+%, TCI America™

CAS: 258278-28-3 Molecular Formula: C27H38N2 Molecular Weight (g/mol): 390.615 MDL Number: MFCD10567379 InChI Key: XZDYFCGKKKSOEY-UHFFFAOYSA-N Synonym: SIPr PubChem CID: 10883669 IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C

PubChem CID 10883669
CAS 258278-28-3
Molecular Weight (g/mol) 390.615
MDL Number MFCD10567379
SMILES CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
Synonym SIPr
IUPAC Name 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide
InChI Key XZDYFCGKKKSOEY-UHFFFAOYSA-N
Molecular Formula C27H38N2
5,347

3-Bromoanisole 98.0+%, TCI America™

CAS: 2398-37-0 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000081 InChI Key: PLDWAJLZAAHOGG-UHFFFAOYSA-N Synonym: 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole PubChem CID: 16971 IUPAC Name: 1-bromo-3-methoxybenzene SMILES: COC1=CC=CC(Br)=C1

PubChem CID 16971
CAS 2398-37-0
Molecular Weight (g/mol) 187.04
MDL Number MFCD00000081
SMILES COC1=CC=CC(Br)=C1
Synonym 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole
IUPAC Name 1-bromo-3-methoxybenzene
InChI Key PLDWAJLZAAHOGG-UHFFFAOYSA-N
Molecular Formula C7H7BrO
5,348

tert-Butylhydroquinone 98.0+%, TCI America™

CAS: 1948-33-0 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00002344 InChI Key: BGNXCDMCOKJUMV-UHFFFAOYSA-N Synonym: tert-butylhydroquinone,tbhq,2-tert-butylhydroquinone,t-butylhydroquinone,mtbhq,t-butyl hydroquinone,2-tert-butyl-1,4-benzenediol,2-t-butylhydroquinone,mono-tert-butylhydroquinone,sustane PubChem CID: 16043 ChEBI: CHEBI:78886 IUPAC Name: 2-tert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=C(C=CC(=C1)O)O

PubChem CID 16043
CAS 1948-33-0
Molecular Weight (g/mol) 166.22
ChEBI CHEBI:78886
MDL Number MFCD00002344
SMILES CC(C)(C)C1=C(C=CC(=C1)O)O
Synonym tert-butylhydroquinone,tbhq,2-tert-butylhydroquinone,t-butylhydroquinone,mtbhq,t-butyl hydroquinone,2-tert-butyl-1,4-benzenediol,2-t-butylhydroquinone,mono-tert-butylhydroquinone,sustane
IUPAC Name 2-tert-butylbenzene-1,4-diol
InChI Key BGNXCDMCOKJUMV-UHFFFAOYSA-N
Molecular Formula C10H14O2
5,349

(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 98.0+%, TCI America™

CAS: 127852-28-2 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.16 MDL Number: MFCD03093010 InChI Key: MMSCIQKQJVBPIR-UHFFFAOYNA-N Synonym: r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281 PubChem CID: 2779031 IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol SMILES: CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

PubChem CID 2779031
CAS 127852-28-2
Molecular Weight (g/mol) 258.16
MDL Number MFCD03093010
SMILES CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281
IUPAC Name 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol
InChI Key MMSCIQKQJVBPIR-UHFFFAOYNA-N
Molecular Formula C10H8F6O
5,350

1-(4-Carboxyphenyl)-5-mercapto-1H-tetrazole 95.0+%, TCI America™

CAS: 23249-95-8 Molecular Formula: C8H6N4O2S Molecular Weight (g/mol): 222.22 MDL Number: MFCD01074835 InChI Key: GDVFHEXRJFFDDB-UHFFFAOYSA-N Synonym: 1-(4-Carboxyphenyl)-1H-tetrazole-5-thiol, 4-(5-Mercapto-1H-tetrazol-1-yl)benzoic Acid PubChem CID: 13651022 IUPAC Name: 4-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)N1NN=NC1=S

PubChem CID 13651022
CAS 23249-95-8
Molecular Weight (g/mol) 222.22
MDL Number MFCD01074835
SMILES OC(=O)C1=CC=C(C=C1)N1NN=NC1=S
Synonym 1-(4-Carboxyphenyl)-1H-tetrazole-5-thiol, 4-(5-Mercapto-1H-tetrazol-1-yl)benzoic Acid
IUPAC Name 4-(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)benzoic acid
InChI Key GDVFHEXRJFFDDB-UHFFFAOYSA-N
Molecular Formula C8H6N4O2S
5,351

Pentafluoroanisole 98.0+%, TCI America™

CAS: 389-40-2 Molecular Formula: C7H3F5O Molecular Weight (g/mol): 198.092 MDL Number: MFCD00000289 InChI Key: ZRQUIRABLIQJRI-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluoroanisole,pentafluoroanisole,benzene, pentafluoromethoxy,pentafluorophenyl methyl ether,pentafluoromethoxybenzene,methyl pentafluorophenyl ether,benzene, 1,2,3,4,5-pentafluoro-6-methoxy,anisole, 2,3,4,5,6-pentafluoro,1,2,3,4,6-pentafluoro-5-methoxybenzene,methoxypentafluorobenzene PubChem CID: 67849 IUPAC Name: 1,2,3,4,5-pentafluoro-6-methoxybenzene SMILES: COC1=C(C(=C(C(=C1F)F)F)F)F

PubChem CID 67849
CAS 389-40-2
Molecular Weight (g/mol) 198.092
MDL Number MFCD00000289
SMILES COC1=C(C(=C(C(=C1F)F)F)F)F
Synonym 2,3,4,5,6-pentafluoroanisole,pentafluoroanisole,benzene, pentafluoromethoxy,pentafluorophenyl methyl ether,pentafluoromethoxybenzene,methyl pentafluorophenyl ether,benzene, 1,2,3,4,5-pentafluoro-6-methoxy,anisole, 2,3,4,5,6-pentafluoro,1,2,3,4,6-pentafluoro-5-methoxybenzene,methoxypentafluorobenzene
IUPAC Name 1,2,3,4,5-pentafluoro-6-methoxybenzene
InChI Key ZRQUIRABLIQJRI-UHFFFAOYSA-N
Molecular Formula C7H3F5O
5,352

2-Bromobenzyl Phenyl Sulfone 98.0+%, TCI America™

CAS: 92022-50-9 Molecular Formula: C13H11BrO2S Molecular Weight (g/mol): 311.193 MDL Number: MFCD06797069 InChI Key: CQNGEPLMWCLSBR-UHFFFAOYSA-N Synonym: 1-(Benzenesulfonylmethyl)-2-bromobenzene, 1-Bromo-2-(phenylsulfonylmethyl)benzene PubChem CID: 11335905 IUPAC Name: 1-(benzenesulfonylmethyl)-2-bromobenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2Br

PubChem CID 11335905
CAS 92022-50-9
Molecular Weight (g/mol) 311.193
MDL Number MFCD06797069
SMILES C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2Br
Synonym 1-(Benzenesulfonylmethyl)-2-bromobenzene, 1-Bromo-2-(phenylsulfonylmethyl)benzene
IUPAC Name 1-(benzenesulfonylmethyl)-2-bromobenzene
InChI Key CQNGEPLMWCLSBR-UHFFFAOYSA-N
Molecular Formula C13H11BrO2S
5,353

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

CAS: 32085-88-4 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010329 InChI Key: ASOFZHSTJHGQDT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone PubChem CID: 588160 IUPAC Name: 3,5-difluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)F)C=O

PubChem CID 588160
CAS 32085-88-4
Molecular Weight (g/mol) 142.105
MDL Number MFCD00010329
SMILES C1=C(C=C(C=C1F)F)C=O
Synonym benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone
IUPAC Name 3,5-difluorobenzaldehyde
InChI Key ASOFZHSTJHGQDT-UHFFFAOYSA-N
Molecular Formula C7H4F2O
5,354

4,5-Dimethoxy-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 4998-07-6 Molecular Formula: C9H8NO6 Molecular Weight (g/mol): 226.17 MDL Number: MFCD00014697 InChI Key: WWCMFGBGMJAJRX-UHFFFAOYSA-M Synonym: 4,5-dimethoxy-2-nitrobenzoic acid,6-nitroveratric acid,3,4-dimethoxy-6-nitrobenzoic acid,benzoic acid, 4,5-dimethoxy-2-nitro,zlchem 681,acmc-2097gn,ksc496i5r,4,5-dimethoxy-2-nitrobenzoicacid,2-nitro-4,5-dimethoxybenzoic acid,4,5-dimethoxy-2-nitro-benzoic acid PubChem CID: 78690 SMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC

PubChem CID 78690
CAS 4998-07-6
Molecular Weight (g/mol) 226.17
MDL Number MFCD00014697
SMILES COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC
Synonym 4,5-dimethoxy-2-nitrobenzoic acid,6-nitroveratric acid,3,4-dimethoxy-6-nitrobenzoic acid,benzoic acid, 4,5-dimethoxy-2-nitro,zlchem 681,acmc-2097gn,ksc496i5r,4,5-dimethoxy-2-nitrobenzoicacid,2-nitro-4,5-dimethoxybenzoic acid,4,5-dimethoxy-2-nitro-benzoic acid
InChI Key WWCMFGBGMJAJRX-UHFFFAOYSA-M
Molecular Formula C9H8NO6
5,355

Benzoyl Isothiocyanate 97.0+%, TCI America™

CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S

PubChem CID 68284
CAS 532-55-8
Molecular Weight (g/mol) 163.194
MDL Number MFCD00004815
SMILES C1=CC=C(C=C1)C(=O)N=C=S
Synonym benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone
IUPAC Name benzoyl isothiocyanate
InChI Key CPEKAXYCDKETEN-UHFFFAOYSA-N
Molecular Formula C8H5NOS