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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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2,041 – 2,055 of 57,279 results
2,041

BisphenolA, ≥99%, MilliporeSigma™ Supelco™

MDL Number: MFCD00002366 Synonym: 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol

MDL Number MFCD00002366
Synonym 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol
2,042

4-tert-Butylphenylacetylene, 90+%

CAS: 772-38-3 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.244 MDL Number: MFCD00190197 InChI Key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene PubChem CID: 2757302 IUPAC Name: 1-tert-butyl-4-ethynylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C#C

PubChem CID 2757302
CAS 772-38-3
Molecular Weight (g/mol) 158.244
MDL Number MFCD00190197
SMILES CC(C)(C)C1=CC=C(C=C1)C#C
Synonym 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene
IUPAC Name 1-tert-butyl-4-ethynylbenzene
InChI Key ZSYQVVKVKBVHIL-UHFFFAOYSA-N
Molecular Formula C12H14
2,043

3,5-Di-tert-butylbenzoic acid, 99%

CAS: 16225-26-6 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.34 InChI Key: NCTSLPBQVXUAHR-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylbenzoic acid,3,5-di-t-butylbenzoic acid,3,5-ditertbutylbenzoic acid,3,5-di-tert-butylbenzoicacid,3,5-bis tert-butyl benzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl,pubchem4953,acmc-209do2,3,5-di-tertbutylbenzoic acid,ksc494i2n PubChem CID: 85339 IUPAC Name: 3,5-ditert-butylbenzoic acid SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C

PubChem CID 85339
CAS 16225-26-6
Molecular Weight (g/mol) 234.34
SMILES CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C
Synonym 3,5-di-tert-butylbenzoic acid,3,5-di-t-butylbenzoic acid,3,5-ditertbutylbenzoic acid,3,5-di-tert-butylbenzoicacid,3,5-bis tert-butyl benzoic acid,benzoic acid, 3,5-bis 1,1-dimethylethyl,pubchem4953,acmc-209do2,3,5-di-tertbutylbenzoic acid,ksc494i2n
IUPAC Name 3,5-ditert-butylbenzoic acid
InChI Key NCTSLPBQVXUAHR-UHFFFAOYSA-N
Molecular Formula C15H22O2
2,044

3-Bromophenylacetone, 98+%

CAS: 21906-32-1 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.08 MDL Number: MFCD00210400 InChI Key: FQIZFAJMBXZVOL-UHFFFAOYSA-N Synonym: 1-3-bromophenyl propan-2-one,3-bromophenylacetone,1-3-bromophenyl-2-propanone,1-3-bromophenyl acetone,2-propanone, 1-3-bromophenyl,3-bromophenyl acetone,ksc492m0h,1-3-bromo-phenyl propan-2-one PubChem CID: 2734093 IUPAC Name: 1-(3-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC(=CC=C1)Br

PubChem CID 2734093
CAS 21906-32-1
Molecular Weight (g/mol) 213.08
MDL Number MFCD00210400
SMILES CC(=O)CC1=CC(=CC=C1)Br
Synonym 1-3-bromophenyl propan-2-one,3-bromophenylacetone,1-3-bromophenyl-2-propanone,1-3-bromophenyl acetone,2-propanone, 1-3-bromophenyl,3-bromophenyl acetone,ksc492m0h,1-3-bromo-phenyl propan-2-one
IUPAC Name 1-(3-bromophenyl)propan-2-one
InChI Key FQIZFAJMBXZVOL-UHFFFAOYSA-N
Molecular Formula C9H9BrO
2,045

2-Methyl-3-phenyl-1-propene, 99%

CAS: 3290-53-7 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00039815 InChI Key: MXTNFIYGTWARIN-UHFFFAOYSA-N Synonym: 2-methyl-3-phenyl-1-propene,methallylbenzene,benzene, 2-methyl-2-propenyl,benzene, 2-methylallyl,2-methylprop-2-en-1-yl benzene,2-methyl-2-propenyl benzene,methallyl benzene,2-methylallylbenzene,2-benzyl-1-propene,2-methylallyl benzene PubChem CID: 18687 IUPAC Name: 2-methylprop-2-enylbenzene SMILES: CC(=C)CC1=CC=CC=C1

PubChem CID 18687
CAS 3290-53-7
Molecular Weight (g/mol) 132.206
MDL Number MFCD00039815
SMILES CC(=C)CC1=CC=CC=C1
Synonym 2-methyl-3-phenyl-1-propene,methallylbenzene,benzene, 2-methyl-2-propenyl,benzene, 2-methylallyl,2-methylprop-2-en-1-yl benzene,2-methyl-2-propenyl benzene,methallyl benzene,2-methylallylbenzene,2-benzyl-1-propene,2-methylallyl benzene
IUPAC Name 2-methylprop-2-enylbenzene
InChI Key MXTNFIYGTWARIN-UHFFFAOYSA-N
Molecular Formula C10H12
2,046

4-tert-Butylphenylacetylene, 96%

CAS: 772-38-3 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00190197 InChI Key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene PubChem CID: 2757302 IUPAC Name: 1-tert-butyl-4-ethynylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C#C

PubChem CID 2757302
CAS 772-38-3
Molecular Weight (g/mol) 158.24
MDL Number MFCD00190197
SMILES CC(C)(C)C1=CC=C(C=C1)C#C
Synonym 1-tert-butyl-4-ethynylbenzene,4-tert-butyl phenylacetylene,4-tert-butylphenylacetylene,benzene, 1-1,1-dimethylethyl-4-ethynyl,acmc-20amtx,4-t-butylphenylacetylene,4-tert-butylphenyl ethyne,4-tert.butylphenylacetylen,4-tert-butyl phenylethyne,4-tert-butylphenyl acetylene
IUPAC Name 1-tert-butyl-4-ethynylbenzene
InChI Key ZSYQVVKVKBVHIL-UHFFFAOYSA-N
Molecular Formula C12H14
2,047

4-(tert-Butyl)-2-chloroaniline, 95%, Thermo Scientific™

CAS: 42265-67-8 Molecular Formula: C10H14ClN Molecular Weight (g/mol): 183.68 MDL Number: MFCD00052272 InChI Key: MFEZEFHCSBXPPO-UHFFFAOYSA-N Synonym: 4-tert-butyl-2-chloroaniline,4-t-butyl-2-chloroaniline,2-chloro-4-tert-butylaniline,4-tert-butyl-2-chloro-aniline,aniline, 4-tert-butyl-2-chloro,4-tert-butyl-2-chlorophenylamine,benzenamine,2-chloro-4-1,1-dimethylethyl PubChem CID: 521094 IUPAC Name: 4-tert-butyl-2-chloroaniline SMILES: CC(C)(C)C1=CC(Cl)=C(N)C=C1

PubChem CID 521094
CAS 42265-67-8
Molecular Weight (g/mol) 183.68
MDL Number MFCD00052272
SMILES CC(C)(C)C1=CC(Cl)=C(N)C=C1
Synonym 4-tert-butyl-2-chloroaniline,4-t-butyl-2-chloroaniline,2-chloro-4-tert-butylaniline,4-tert-butyl-2-chloro-aniline,aniline, 4-tert-butyl-2-chloro,4-tert-butyl-2-chlorophenylamine,benzenamine,2-chloro-4-1,1-dimethylethyl
IUPAC Name 4-tert-butyl-2-chloroaniline
InChI Key MFEZEFHCSBXPPO-UHFFFAOYSA-N
Molecular Formula C10H14ClN
2,048

1-Bromo-4-tert-butylbenzene, 97%

CAS: 3972-65-4 Molecular Formula: C10H13Br Molecular Weight (g/mol): 213.12 MDL Number: MFCD00000108 InChI Key: XHCAGOVGSDHHNP-UHFFFAOYSA-N Synonym: 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene PubChem CID: 77595 IUPAC Name: 1-bromo-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)Br

PubChem CID 77595
CAS 3972-65-4
Molecular Weight (g/mol) 213.12
MDL Number MFCD00000108
SMILES CC(C)(C)C1=CC=C(C=C1)Br
Synonym 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene
IUPAC Name 1-bromo-4-tert-butylbenzene
InChI Key XHCAGOVGSDHHNP-UHFFFAOYSA-N
Molecular Formula C10H13Br
2,049

4-tert-Butylphenylmagnesium bromide, 2M solution in diethyl ether, AcroSeal™

CAS: 63488-10-8 Molecular Formula: C10H13BrMg Molecular Weight (g/mol): 237.42 MDL Number: MFCD00013244 InChI Key: YECFWFOEQLAVNH-UHFFFAOYSA-M Synonym: 4-tert-butylphenylmagnesium bromide,4-t-butylphenylmagnesium bromide,bromo 4-tert-butylphenyl magnesium,magnesium, bromo 4-1,1-dimethylethyl phenyl,4-tert-butylphenylmagnesium bromide solution,yecfwfoeqlavnh-uhfffaoysa-m,4-tert-butylphenyhnagnesium bromide,4-tert.-butylphenylmagnesium bromide,4-tert-butylphenyl magnesium bromide,4-tert butyl phenyl magnesium bromide,grignard reagent PubChem CID: 4608371 IUPAC Name: magnesium;tert-butylbenzene;bromide SMILES: CC(C)(C)C1=CC=C([Mg]Br)C=C1

PubChem CID 4608371
CAS 63488-10-8
Molecular Weight (g/mol) 237.42
MDL Number MFCD00013244
SMILES CC(C)(C)C1=CC=C([Mg]Br)C=C1
Synonym 4-tert-butylphenylmagnesium bromide,4-t-butylphenylmagnesium bromide,bromo 4-tert-butylphenyl magnesium,magnesium, bromo 4-1,1-dimethylethyl phenyl,4-tert-butylphenylmagnesium bromide solution,yecfwfoeqlavnh-uhfffaoysa-m,4-tert-butylphenyhnagnesium bromide,4-tert.-butylphenylmagnesium bromide,4-tert-butylphenyl magnesium bromide,4-tert butyl phenyl magnesium bromide,grignard reagent
IUPAC Name magnesium;tert-butylbenzene;bromide
InChI Key YECFWFOEQLAVNH-UHFFFAOYSA-M
Molecular Formula C10H13BrMg
2,050

2-Methoxy-4-nitrophenyl isothiocyanate, 97%

CAS: 190774-55-1 Molecular Formula: C8H6N2O3S Molecular Weight (g/mol): 210.207 MDL Number: MFCD00041379 InChI Key: NXWXXLFRMVILJN-UHFFFAOYSA-N Synonym: 2-methoxy-4-nitrophenyl isothiocyanate,1-isothiocyanato-2-methoxy-4-nitro-benzene,acmc-20ans0,2-methoxy4-nitrophenyl isothiocyanate,2-methoxy-4-nitrophenylisothiocyanate,#,benzene, 1-isothiocyanato-2-methoxy-4-nitro,benzene, 1-isothiocyanato-2-methoxy-4-nitro-9ci PubChem CID: 610837 IUPAC Name: 1-isothiocyanato-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S

PubChem CID 610837
CAS 190774-55-1
Molecular Weight (g/mol) 210.207
MDL Number MFCD00041379
SMILES COC1=C(C=CC(=C1)[N+](=O)[O-])N=C=S
Synonym 2-methoxy-4-nitrophenyl isothiocyanate,1-isothiocyanato-2-methoxy-4-nitro-benzene,acmc-20ans0,2-methoxy4-nitrophenyl isothiocyanate,2-methoxy-4-nitrophenylisothiocyanate,#,benzene, 1-isothiocyanato-2-methoxy-4-nitro,benzene, 1-isothiocyanato-2-methoxy-4-nitro-9ci
IUPAC Name 1-isothiocyanato-2-methoxy-4-nitrobenzene
InChI Key NXWXXLFRMVILJN-UHFFFAOYSA-N
Molecular Formula C8H6N2O3S
2,051

3-Bromo-5-nitrobenzaldehyde, 97+%

CAS: 355134-13-3 Molecular Formula: C7H4BrNO3 Molecular Weight (g/mol): 230.017 MDL Number: MFCD00100097 InChI Key: OUDCOMBHRXKPIJ-UHFFFAOYSA-N Synonym: benzaldehyde, 3-bromo-5-nitro,3-bromo-5-nitro-benzaldehyde,3-bromo-5-nitro benzaldehyde,ksc497m5f,3-nitro-5-bromo-benzaldehyde,3-bromanyl-5-nitro-benzaldehyde,5-bromo-3-nitrobenzaldehyde,3-bromo-5-nitrobenzaldehyde PubChem CID: 16743966 IUPAC Name: 3-bromo-5-nitrobenzaldehyde SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O

PubChem CID 16743966
CAS 355134-13-3
Molecular Weight (g/mol) 230.017
MDL Number MFCD00100097
SMILES C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O
Synonym benzaldehyde, 3-bromo-5-nitro,3-bromo-5-nitro-benzaldehyde,3-bromo-5-nitro benzaldehyde,ksc497m5f,3-nitro-5-bromo-benzaldehyde,3-bromanyl-5-nitro-benzaldehyde,5-bromo-3-nitrobenzaldehyde,3-bromo-5-nitrobenzaldehyde
IUPAC Name 3-bromo-5-nitrobenzaldehyde
InChI Key OUDCOMBHRXKPIJ-UHFFFAOYSA-N
Molecular Formula C7H4BrNO3
2,052

2-Methoxy-4-nitrobenzonitrile, 98%

CAS: 101084-96-2 Molecular Formula: C8H6N2O3 Molecular Weight (g/mol): 178.147 MDL Number: MFCD02093781 InChI Key: MLIKCKXLGYEGAO-UHFFFAOYSA-N Synonym: 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile PubChem CID: 291867 IUPAC Name: 2-methoxy-4-nitrobenzonitrile SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C#N

PubChem CID 291867
CAS 101084-96-2
Molecular Weight (g/mol) 178.147
MDL Number MFCD02093781
SMILES COC1=C(C=CC(=C1)[N+](=O)[O-])C#N
Synonym 2-cyano-5-nitroanisole,acmc-20a4y1,4-nitro-2-methoxybenzonitrile,2-methoxy-4-nitro-benzonitrile,2-methyloxy-4-nitrobenzonitrile,2-methoxy-4-nitrobenzonitrile
IUPAC Name 2-methoxy-4-nitrobenzonitrile
InChI Key MLIKCKXLGYEGAO-UHFFFAOYSA-N
Molecular Formula C8H6N2O3
2,053

4-Nitroveratrole, 98+%

CAS: 709-09-1 Molecular Formula: C8H9NO4 Molecular Weight (g/mol): 183.16 MDL Number: MFCD00007238 InChI Key: YFWBUVZWCBFSQN-UHFFFAOYSA-N Synonym: 3,4-dimethoxynitrobenzene,4-nitroveratrole,benzene, 1,2-dimethoxy-4-nitro,4-nitrcveratrole,4-nitro-1,2-dimethoxybenzene,benzene,2-dimethoxy-4-nitro,1,2-dimethoxy-4-nitrobenzol,3,4-dimethoxylnitrobenzene,3,4-dimethoxy-1-nitrobenzene PubChem CID: 69728 IUPAC Name: 1,2-dimethoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1OC)[N+]([O-])=O

PubChem CID 69728
CAS 709-09-1
Molecular Weight (g/mol) 183.16
MDL Number MFCD00007238
SMILES COC1=CC=C(C=C1OC)[N+]([O-])=O
Synonym 3,4-dimethoxynitrobenzene,4-nitroveratrole,benzene, 1,2-dimethoxy-4-nitro,4-nitrcveratrole,4-nitro-1,2-dimethoxybenzene,benzene,2-dimethoxy-4-nitro,1,2-dimethoxy-4-nitrobenzol,3,4-dimethoxylnitrobenzene,3,4-dimethoxy-1-nitrobenzene
IUPAC Name 1,2-dimethoxy-4-nitrobenzene
InChI Key YFWBUVZWCBFSQN-UHFFFAOYSA-N
Molecular Formula C8H9NO4
2,054

4-Fluoro-3-nitroanisole, 95%

CAS: 61324-93-4 Molecular Formula: C7H6FNO3 Molecular Weight (g/mol): 171.127 MDL Number: MFCD11848442 InChI Key: ZRIKJXDEJYMBEJ-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitroanisole,benzene, 1-fluoro-4-methoxy-2-nitro,3-fluoro-4-nitrobenzene,-1-methoxy,ksc613a5f,2-fluoro-5-methoxynitrobenzene,2-fluoro-5-methoxy-nitrobenzene,# PubChem CID: 565653 IUPAC Name: 1-fluoro-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)F)[N+](=O)[O-]

PubChem CID 565653
CAS 61324-93-4
Molecular Weight (g/mol) 171.127
MDL Number MFCD11848442
SMILES COC1=CC(=C(C=C1)F)[N+](=O)[O-]
Synonym 4-fluoro-3-nitroanisole,benzene, 1-fluoro-4-methoxy-2-nitro,3-fluoro-4-nitrobenzene,-1-methoxy,ksc613a5f,2-fluoro-5-methoxynitrobenzene,2-fluoro-5-methoxy-nitrobenzene,#
IUPAC Name 1-fluoro-4-methoxy-2-nitrobenzene
InChI Key ZRIKJXDEJYMBEJ-UHFFFAOYSA-N
Molecular Formula C7H6FNO3
2,055

1,2-Dimethoxy-4,5-dinitrobenzene, 96%

CAS: 3395-03-7 MDL Number: MFCD00082695

CAS 3395-03-7
MDL Number MFCD00082695