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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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4,381 – 4,395 of 57,266 results
4,381

4-Nitroguaiacol, 97%

CAS: 3251-56-7 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.14 MDL Number: MFCD00012143 InChI Key: IZLVFLOBTPURLP-UHFFFAOYSA-N Synonym: 4-nitroguaiacol,phenol, 2-methoxy-4-nitro,guaiacol, 4-nitro,2-hydroxy-5-nitroanisole,3-nitro-6-hydroxyanisole,4-hydroxy-3-methoxynitrobenzene,phenol, o-methoxy-p-nitro,o-methoxy-p-nitrophenol,2-methoxy-4-nitro-phenol,4-nitrogualacol PubChem CID: 76738 ChEBI: CHEBI:81050 IUPAC Name: 2-methoxy-4-nitrophenol SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])O

PubChem CID 76738
CAS 3251-56-7
Molecular Weight (g/mol) 169.14
ChEBI CHEBI:81050
MDL Number MFCD00012143
SMILES COC1=C(C=CC(=C1)[N+](=O)[O-])O
Synonym 4-nitroguaiacol,phenol, 2-methoxy-4-nitro,guaiacol, 4-nitro,2-hydroxy-5-nitroanisole,3-nitro-6-hydroxyanisole,4-hydroxy-3-methoxynitrobenzene,phenol, o-methoxy-p-nitro,o-methoxy-p-nitrophenol,2-methoxy-4-nitro-phenol,4-nitrogualacol
IUPAC Name 2-methoxy-4-nitrophenol
InChI Key IZLVFLOBTPURLP-UHFFFAOYSA-N
Molecular Formula C7H7NO4
4,382

Benzyl Alcohol, Multi-Compendial, N.F., J.T. Baker™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
4,383

3-Methylbenzyl alcohol, 98%, Thermo Scientific Chemicals

CAS: 587-03-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004646 InChI Key: JJCKHVUTVOPLBV-UHFFFAOYSA-N Synonym: 3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol PubChem CID: 11476 ChEBI: CHEBI:27995 IUPAC Name: (3-methylphenyl)methanol SMILES: CC1=CC(=CC=C1)CO

PubChem CID 11476
CAS 587-03-1
Molecular Weight (g/mol) 122.167
ChEBI CHEBI:27995
MDL Number MFCD00004646
SMILES CC1=CC(=CC=C1)CO
Synonym 3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol
IUPAC Name (3-methylphenyl)methanol
InChI Key JJCKHVUTVOPLBV-UHFFFAOYSA-N
Molecular Formula C8H10O
4,384

Benzyl Alcohol, N.F., J.T. Baker™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
4,385

2-[2-(Bromomethyl)phenyl]thiophene, ≥95%, Thermo Scientific™

CAS: 791078-04-1 Molecular Formula: C11H9BrS Molecular Weight (g/mol): 253.157 MDL Number: MFCD07368537 InChI Key: IJNVNLWIQXMBPA-UHFFFAOYSA-N PubChem CID: 7060555 IUPAC Name: 2-[2-(bromomethyl)phenyl]thiophene SMILES: C1=CC=C(C(=C1)CBr)C2=CC=CS2

PubChem CID 7060555
CAS 791078-04-1
Molecular Weight (g/mol) 253.157
MDL Number MFCD07368537
SMILES C1=CC=C(C(=C1)CBr)C2=CC=CS2
IUPAC Name 2-[2-(bromomethyl)phenyl]thiophene
InChI Key IJNVNLWIQXMBPA-UHFFFAOYSA-N
Molecular Formula C11H9BrS
4,386

4-Ethylbenzyl alcohol, 99%

CAS: 768-59-2 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004666 InChI Key: YSLBFFIVJGJBSA-UHFFFAOYSA-N PubChem CID: 13034 IUPAC Name: (4-ethylphenyl)methanol SMILES: CCC1=CC=C(C=C1)CO

PubChem CID 13034
CAS 768-59-2
Molecular Weight (g/mol) 136.194
MDL Number MFCD00004666
SMILES CCC1=CC=C(C=C1)CO
IUPAC Name (4-ethylphenyl)methanol
InChI Key YSLBFFIVJGJBSA-UHFFFAOYSA-N
Molecular Formula C9H12O
4,387

3-Bromophenylacetonitrile, 97%

CAS: 31938-07-5 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.047 MDL Number: MFCD00001906 InChI Key: UUZYFBXKWIQKTF-UHFFFAOYSA-N Synonym: 3-bromophenylacetonitrile,3-bromobenzyl cyanide,2-3-bromophenyl acetonitrile,m-bromobenzyl cyanide,benzeneacetonitrile, 3-bromo,3-bromobenzylcyanide,3-bromobenzeneacetonitrile,3-bromophenyl acetonitrile,m-bromophenylacetonitrile,2-3-bromophenyl ethanenitrile PubChem CID: 36023 IUPAC Name: 2-(3-bromophenyl)acetonitrile SMILES: C1=CC(=CC(=C1)Br)CC#N

PubChem CID 36023
CAS 31938-07-5
Molecular Weight (g/mol) 196.047
MDL Number MFCD00001906
SMILES C1=CC(=CC(=C1)Br)CC#N
Synonym 3-bromophenylacetonitrile,3-bromobenzyl cyanide,2-3-bromophenyl acetonitrile,m-bromobenzyl cyanide,benzeneacetonitrile, 3-bromo,3-bromobenzylcyanide,3-bromobenzeneacetonitrile,3-bromophenyl acetonitrile,m-bromophenylacetonitrile,2-3-bromophenyl ethanenitrile
IUPAC Name 2-(3-bromophenyl)acetonitrile
InChI Key UUZYFBXKWIQKTF-UHFFFAOYSA-N
Molecular Formula C8H6BrN
4,388

3-Iodobenzyl bromide, 96%

CAS: 49617-83-6 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.933 MDL Number: MFCD00019016 InChI Key: BACZSVQZBSCWIG-UHFFFAOYSA-N Synonym: 3-iodobenzyl bromide,1-bromomethyl-3-iodobenzene,alpha-bromo-3-iodotoluene,3-iodobenzylbromide,m-iodobenzyl bromide,benzene, 1-bromomethyl-3-iodo,m-iodobenzylbromide,3-iodo-benzylbromide,3-iodo-benzyl bromide,meta-iodobenzyl bromide PubChem CID: 2759361 IUPAC Name: 1-(bromomethyl)-3-iodobenzene SMILES: C1=CC(=CC(=C1)I)CBr

PubChem CID 2759361
CAS 49617-83-6
Molecular Weight (g/mol) 296.933
MDL Number MFCD00019016
SMILES C1=CC(=CC(=C1)I)CBr
Synonym 3-iodobenzyl bromide,1-bromomethyl-3-iodobenzene,alpha-bromo-3-iodotoluene,3-iodobenzylbromide,m-iodobenzyl bromide,benzene, 1-bromomethyl-3-iodo,m-iodobenzylbromide,3-iodo-benzylbromide,3-iodo-benzyl bromide,meta-iodobenzyl bromide
IUPAC Name 1-(bromomethyl)-3-iodobenzene
InChI Key BACZSVQZBSCWIG-UHFFFAOYSA-N
Molecular Formula C7H6BrI
4,389

2-Iodophenylacetonitrile, 96%

CAS: 40400-15-5 Molecular Formula: C8H6IN Molecular Weight (g/mol): 243.047 MDL Number: MFCD00040888 InChI Key: FPSGTRJUQLYLHE-UHFFFAOYSA-N Synonym: 2-iodophenylacetonitrile,2-2-iodophenyl acetonitrile,2-iodobenzyl cyanide,o-iodophenylacetonitrile,benzeneacetonitrile, 2-iodo,o-iodobenzyl cyanide,acmc-20a7xu,2-iodo-phenylacetonitrile,2-iodo-phenyl-acetonitrile,2-2-iodophenyl ethanenitrile PubChem CID: 4402282 IUPAC Name: 2-(2-iodophenyl)acetonitrile SMILES: C1=CC=C(C(=C1)CC#N)I

PubChem CID 4402282
CAS 40400-15-5
Molecular Weight (g/mol) 243.047
MDL Number MFCD00040888
SMILES C1=CC=C(C(=C1)CC#N)I
Synonym 2-iodophenylacetonitrile,2-2-iodophenyl acetonitrile,2-iodobenzyl cyanide,o-iodophenylacetonitrile,benzeneacetonitrile, 2-iodo,o-iodobenzyl cyanide,acmc-20a7xu,2-iodo-phenylacetonitrile,2-iodo-phenyl-acetonitrile,2-2-iodophenyl ethanenitrile
IUPAC Name 2-(2-iodophenyl)acetonitrile
InChI Key FPSGTRJUQLYLHE-UHFFFAOYSA-N
Molecular Formula C8H6IN
4,390

{3-[(6-Methylpyrazin-2-yl)oxy]phenyl}methanol, 97%, Thermo Scientific™

CAS: 906352-98-5 Molecular Formula: C12H12N2O2 Molecular Weight (g/mol): 216.24 MDL Number: MFCD09817525 InChI Key: DWEAUGVLWACZHO-UHFFFAOYSA-N Synonym: 3-6-methylpyrazin-2-yl oxy phenyl methanol,3-6-methylpyrazin-2-yloxy phenyl methan-1-ol,benzenemethanol,3-6-methyl-2-pyrazinyl oxy PubChem CID: 24229679 IUPAC Name: [3-(6-methylpyrazin-2-yl)oxyphenyl]methanol SMILES: CC1=CN=CC(=N1)OC2=CC=CC(=C2)CO

PubChem CID 24229679
CAS 906352-98-5
Molecular Weight (g/mol) 216.24
MDL Number MFCD09817525
SMILES CC1=CN=CC(=N1)OC2=CC=CC(=C2)CO
Synonym 3-6-methylpyrazin-2-yl oxy phenyl methanol,3-6-methylpyrazin-2-yloxy phenyl methan-1-ol,benzenemethanol,3-6-methyl-2-pyrazinyl oxy
IUPAC Name [3-(6-methylpyrazin-2-yl)oxyphenyl]methanol
InChI Key DWEAUGVLWACZHO-UHFFFAOYSA-N
Molecular Formula C12H12N2O2
4,391

4-Nitroanisole, 97%

CAS: 100-17-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007327 InChI Key: BNUHAJGCKIQFGE-UHFFFAOYSA-N Synonym: 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh PubChem CID: 7485 ChEBI: CHEBI:1911 IUPAC Name: 1-methoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 7485
CAS 100-17-4
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:1911
MDL Number MFCD00007327
SMILES COC1=CC=C(C=C1)[N+]([O-])=O
Synonym 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh
IUPAC Name 1-methoxy-4-nitrobenzene
InChI Key BNUHAJGCKIQFGE-UHFFFAOYSA-N
Molecular Formula C7H7NO3
4,392

5-Hydroxy-2-nitrobenzaldehyde, 97%, Thermo Scientific Chemicals

CAS: 42454-06-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007332 InChI Key: XLYPHUGUKGMURE-UHFFFAOYSA-N Synonym: 3-formyl-4-nitrophenol,6-nitro-3-hydroxybenzaldehyde,2-nitro-5-hydroxybenzaldehyde,5-hydroxy-2-nitro-benzaldehyde,benzaldehyde, 5-hydroxy-2-nitro,unii-va926z93if,6-nitro-3-hydroxy benzaldhyde,pubchem8205,acmc-1an3l,4-08-00-00250 beilstein handbook reference PubChem CID: 39211 IUPAC Name: 5-hydroxy-2-nitrobenzaldehyde SMILES: OC1=CC=C(C(C=O)=C1)[N+]([O-])=O

PubChem CID 39211
CAS 42454-06-8
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007332
SMILES OC1=CC=C(C(C=O)=C1)[N+]([O-])=O
Synonym 3-formyl-4-nitrophenol,6-nitro-3-hydroxybenzaldehyde,2-nitro-5-hydroxybenzaldehyde,5-hydroxy-2-nitro-benzaldehyde,benzaldehyde, 5-hydroxy-2-nitro,unii-va926z93if,6-nitro-3-hydroxy benzaldhyde,pubchem8205,acmc-1an3l,4-08-00-00250 beilstein handbook reference
IUPAC Name 5-hydroxy-2-nitrobenzaldehyde
InChI Key XLYPHUGUKGMURE-UHFFFAOYSA-N
Molecular Formula C7H5NO4
4,393

2-Fluoro-5-nitrobenzaldehyde, 98%

CAS: 27996-87-8 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD00042298 InChI Key: VVXFDFQEIRGULC-UHFFFAOYSA-N Synonym: fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde PubChem CID: 2734770 IUPAC Name: 2-fluoro-5-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=O)F

PubChem CID 2734770
CAS 27996-87-8
Molecular Weight (g/mol) 169.111
MDL Number MFCD00042298
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C=O)F
Synonym fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde
IUPAC Name 2-fluoro-5-nitrobenzaldehyde
InChI Key VVXFDFQEIRGULC-UHFFFAOYSA-N
Molecular Formula C7H4FNO3
4,394

2-Chloro-6-nitrobenzaldehyde, 98%

CAS: 6361-22-4 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007204 InChI Key: RZDOUWDCYULHJX-UHFFFAOYSA-N PubChem CID: 80701 IUPAC Name: 2-chloro-6-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=CC(Cl)=C1C=O

PubChem CID 80701
CAS 6361-22-4
Molecular Weight (g/mol) 185.56
MDL Number MFCD00007204
SMILES [O-][N+](=O)C1=CC=CC(Cl)=C1C=O
IUPAC Name 2-chloro-6-nitrobenzaldehyde
InChI Key RZDOUWDCYULHJX-UHFFFAOYSA-N
Molecular Formula C7H4ClNO3
4,395

3-bromo-2-hydroxy-5-nitrobenzaldehyde, Thermo Scientific™

CAS: 16789-84-7 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD00051833 InChI Key: BESBCGANGAEHPM-UHFFFAOYSA-N Synonym: 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde PubChem CID: 519307 IUPAC Name: 3-bromo-2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O

PubChem CID 519307
CAS 16789-84-7
Molecular Weight (g/mol) 246.02
MDL Number MFCD00051833
SMILES OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O
Synonym 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde
IUPAC Name 3-bromo-2-hydroxy-5-nitrobenzaldehyde
InChI Key BESBCGANGAEHPM-UHFFFAOYSA-N
Molecular Formula C7H4BrNO4