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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.
Phenylmethylamines (242)
Benzyl Derivatives (163)
Trifluoromethylbenzenes (107)
Benzoyl derivatives (103)
Bromobenzenes (87)
Benzenesulfonamides (52)
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Hydroxybenzoic Acid Derivatives (51)
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Phenylpropanes (34)
Iodobenzenes (32)
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Aminobenzoic acids and derivatives (22)
Aniline and substituted anilines (19)
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Nitrobenzoic acids and derivatives (12)
Phenylcarbamic acid esters (12)
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Phthalic acid and derivatives (2)
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Keyword Search:
1 – 15 of 586 results
1

4-[(6-Methylpyrazin-2-yl)oxy]benzoic acid, 97%, Thermo Scientific™

CAS: 906353-00-2 Molecular Formula: C12H10N2O3 Molecular Weight (g/mol): 230.22 MDL Number: MFCD09817529 InChI Key: PPGBPVGCYRDKMI-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid PubChem CID: 24229686 SMILES: CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1

PubChem CID 24229686
CAS 906353-00-2
Molecular Weight (g/mol) 230.22
MDL Number MFCD09817529
SMILES CC1=CN=CC(OC2=CC=C(C=C2)C(O)=O)=N1
Synonym 4-6-methylpyrazin-2-yl oxy benzoic acid,4-6-methylpyrazin-2-yloxy benzoic acid
InChI Key PPGBPVGCYRDKMI-UHFFFAOYSA-N
Molecular Formula C12H10N2O3
2

2-Nitrobenzaldehyde, 97%, Thermo Scientific™

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

4-[4-(tert-Butyl)-1,3-thiazol-2-yl]benzaldehyde, 97%, Thermo Scientific™

CAS: 175202-78-5 Molecular Formula: C14H15NOS Molecular Weight (g/mol): 245.34 MDL Number: MFCD00084914 InChI Key: IIKIVYFYAIKVBC-UHFFFAOYSA-N Synonym: 4-4-tert-butyl-1,3-thiazol-2-yl benzaldehyde,benzaldehyde,4-4-1,1-dimethylethyl-2-thiazolyl,4-tert-butyl-2-4-formylphenyl thiazole,4-4-tert-butyl-2-thiazolyl benzaldehyde,4-4-tert-butylthiazol-2-yl benzaldehyde,4-4-tert-butyl thiazol-2-yl benzaldehyde PubChem CID: 2778859 IUPAC Name: 4-(4-tert-butyl-1,3-thiazol-2-yl)benzaldehyde SMILES: CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=O

PubChem CID 2778859
CAS 175202-78-5
Molecular Weight (g/mol) 245.34
MDL Number MFCD00084914
SMILES CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)C=O
Synonym 4-4-tert-butyl-1,3-thiazol-2-yl benzaldehyde,benzaldehyde,4-4-1,1-dimethylethyl-2-thiazolyl,4-tert-butyl-2-4-formylphenyl thiazole,4-4-tert-butyl-2-thiazolyl benzaldehyde,4-4-tert-butylthiazol-2-yl benzaldehyde,4-4-tert-butyl thiazol-2-yl benzaldehyde
IUPAC Name 4-(4-tert-butyl-1,3-thiazol-2-yl)benzaldehyde
InChI Key IIKIVYFYAIKVBC-UHFFFAOYSA-N
Molecular Formula C14H15NOS
4

2-(Trifluoromethyl)aniline, 97%, Thermo Scientific™

CAS: 88-17-5 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00007718 InChI Key: VBLXCTYLWZJBKA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene PubChem CID: 6922 IUPAC Name: 2-(trifluoromethyl)aniline SMILES: C1=CC=C(C(=C1)C(F)(F)F)N

PubChem CID 6922
CAS 88-17-5
Molecular Weight (g/mol) 161.127
MDL Number MFCD00007718
SMILES C1=CC=C(C(=C1)C(F)(F)F)N
Synonym 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene
IUPAC Name 2-(trifluoromethyl)aniline
InChI Key VBLXCTYLWZJBKA-UHFFFAOYSA-N
Molecular Formula C7H6F3N
5

4-(Trifluoromethyl)aniline, ≥97%, Thermo Scientific™

CAS: 455-14-1 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N

PubChem CID 9964
CAS 455-14-1
Molecular Weight (g/mol) 161.127
ChEBI CHEBI:40750
MDL Number MFCD00064396
SMILES C1=CC(=CC=C1C(F)(F)F)N
Synonym 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine
IUPAC Name 4-(trifluoromethyl)aniline
InChI Key ODGIMMLDVSWADK-UHFFFAOYSA-N
Molecular Formula C7H6F3N
7

1-(Bromomethyl)-4-phenoxybenzene, ≥97%, Thermo Scientific™

CAS: 36881-42-2 Molecular Formula: C13H11BrO Molecular Weight (g/mol): 263.134 MDL Number: MFCD04038693 InChI Key: CPIGBCFBFZSCQI-UHFFFAOYSA-N PubChem CID: 1514251 IUPAC Name: 1-(bromomethyl)-4-phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CBr

PubChem CID 1514251
CAS 36881-42-2
Molecular Weight (g/mol) 263.134
MDL Number MFCD04038693
SMILES C1=CC=C(C=C1)OC2=CC=C(C=C2)CBr
IUPAC Name 1-(bromomethyl)-4-phenoxybenzene
InChI Key CPIGBCFBFZSCQI-UHFFFAOYSA-N
Molecular Formula C13H11BrO
10

2-(4-Bromophenoxy)-6-methylpyrazine, 97%, Thermo Scientific™

CAS: 915707-62-9 Molecular Formula: C11H9BrN2O Molecular Weight (g/mol): 265.11 MDL Number: MFCD09702408 InChI Key: VJZHVPRWFQZLGM-UHFFFAOYSA-N Synonym: 2-4-bromophenoxy-6-methylpyrazine,pyrazine, 2-4-bromophenoxy-6-methyl,4-bromo-1-6-methylpyrazin-2-yloxy benzene PubChem CID: 24229692 IUPAC Name: 2-(4-bromophenoxy)-6-methylpyrazine SMILES: CC1=CN=CC(=N1)OC2=CC=C(C=C2)Br

PubChem CID 24229692
CAS 915707-62-9
Molecular Weight (g/mol) 265.11
MDL Number MFCD09702408
SMILES CC1=CN=CC(=N1)OC2=CC=C(C=C2)Br
Synonym 2-4-bromophenoxy-6-methylpyrazine,pyrazine, 2-4-bromophenoxy-6-methyl,4-bromo-1-6-methylpyrazin-2-yloxy benzene
IUPAC Name 2-(4-bromophenoxy)-6-methylpyrazine
InChI Key VJZHVPRWFQZLGM-UHFFFAOYSA-N
Molecular Formula C11H9BrN2O
11

N-Methyl-N-(2-thien-2-ylbenzyl)amine, 97%, Thermo Scientific™

CAS: 852180-66-6 Molecular Formula: C12H13NS Molecular Weight (g/mol): 203.303 MDL Number: MFCD07368538 InChI Key: MRKJJEJYTBOUTH-UHFFFAOYSA-N Synonym: n-methyl-n-2-thien-2-ylbenzyl amine,n-methyl-1-2-thiophen-2-ylphenyl methanamine,n-methyl-2-thien-2-ylbenzylamine,methyl 2-thiophen-2-yl phenyl methyl amine,n-methyl-1-2-thiophen-2-yl phenyl methanamine,d0a2yg,n-methyl-n-2-thiophen-2-ylbenzyl amine,methyl 2-2-thienyl phenyl methyl amine,benzenemethanamine,n-methyl-2-2-thienyl,benzenemethanamine, n-methyl-2-2-thienyl PubChem CID: 7060565 IUPAC Name: N-methyl-1-(2-thiophen-2-ylphenyl)methanamine SMILES: CNCC1=CC=CC=C1C2=CC=CS2

PubChem CID 7060565
CAS 852180-66-6
Molecular Weight (g/mol) 203.303
MDL Number MFCD07368538
SMILES CNCC1=CC=CC=C1C2=CC=CS2
Synonym n-methyl-n-2-thien-2-ylbenzyl amine,n-methyl-1-2-thiophen-2-ylphenyl methanamine,n-methyl-2-thien-2-ylbenzylamine,methyl 2-thiophen-2-yl phenyl methyl amine,n-methyl-1-2-thiophen-2-yl phenyl methanamine,d0a2yg,n-methyl-n-2-thiophen-2-ylbenzyl amine,methyl 2-2-thienyl phenyl methyl amine,benzenemethanamine,n-methyl-2-2-thienyl,benzenemethanamine, n-methyl-2-2-thienyl
IUPAC Name N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
InChI Key MRKJJEJYTBOUTH-UHFFFAOYSA-N
Molecular Formula C12H13NS
13

1-(4-Iodophenyl)hydrazine 95%, Thermo Scientific™

CAS: 13116-27-3 Molecular Formula: C6H7IN2 Molecular Weight (g/mol): 234.04 InChI Key: IQMLCMKMSBMMGR-UHFFFAOYSA-N Synonym: 4-iodophenyl hydrazine,1-4-iodophenyl hydrazine,4-iodo-phenyl-hydrazine,4-iodo phenyl hydrazine,p-iodophenyl-hydrazine,4-iodophenyl diazane,pubchem15797,acmc-1brf1,1-hydrazino-4-iodobenzene,4-iodophenylhydrazine PubChem CID: 704591 IUPAC Name: (4-iodophenyl)hydrazine SMILES: C1=CC(=CC=C1NN)I

PubChem CID 704591
CAS 13116-27-3
Molecular Weight (g/mol) 234.04
SMILES C1=CC(=CC=C1NN)I
Synonym 4-iodophenyl hydrazine,1-4-iodophenyl hydrazine,4-iodo-phenyl-hydrazine,4-iodo phenyl hydrazine,p-iodophenyl-hydrazine,4-iodophenyl diazane,pubchem15797,acmc-1brf1,1-hydrazino-4-iodobenzene,4-iodophenylhydrazine
IUPAC Name (4-iodophenyl)hydrazine
InChI Key IQMLCMKMSBMMGR-UHFFFAOYSA-N
Molecular Formula C6H7IN2
14

4-(Pyrid-2-yloxy)benzoic acid, ≥97%, Thermo Scientific™

CAS: 51363-00-9 Molecular Formula: C12H9NO3 Molecular Weight (g/mol): 215.21 MDL Number: MFCD08435897 InChI Key: GKSKQZLHPWBLJL-UHFFFAOYSA-N Synonym: 4-pyrid-2-yloxy benzoic acid,4-pyridin-2-yloxy benzoic acid,4-2-pyridyloxy benzoic acid,4-pyridin-2-yloxy-benzoic acid,4-pyridin-2-yl oxy benzoic acid PubChem CID: 22262052 IUPAC Name: 4-pyridin-2-yloxybenzoic acid SMILES: OC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1

PubChem CID 22262052
CAS 51363-00-9
Molecular Weight (g/mol) 215.21
MDL Number MFCD08435897
SMILES OC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1
Synonym 4-pyrid-2-yloxy benzoic acid,4-pyridin-2-yloxy benzoic acid,4-2-pyridyloxy benzoic acid,4-pyridin-2-yloxy-benzoic acid,4-pyridin-2-yl oxy benzoic acid
IUPAC Name 4-pyridin-2-yloxybenzoic acid
InChI Key GKSKQZLHPWBLJL-UHFFFAOYSA-N
Molecular Formula C12H9NO3
15

2-Isopropylphenyl isothiocyanate, ≥95%, Thermo Scientific™

CAS: 36176-31-5 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00022053 InChI Key: QQOOMDSEMQHMIR-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate PubChem CID: 142052 IUPAC Name: 1-isothiocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=S

PubChem CID 142052
CAS 36176-31-5
Molecular Weight (g/mol) 177.265
MDL Number MFCD00022053
SMILES CC(C)C1=CC=CC=C1N=C=S
Synonym 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate
IUPAC Name 1-isothiocyanato-2-propan-2-ylbenzene
InChI Key QQOOMDSEMQHMIR-UHFFFAOYSA-N
Molecular Formula C10H11NS