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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 (241)
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1 – 15 of 572 results
1

[2-(Tetrahydropyran-4-yloxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 478189-93-4 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD09064960 InChI Key: RMRHXMQGVDIPCL-UHFFFAOYSA-N Synonym: 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol PubChem CID: 22932192 IUPAC Name: [2-(oxan-4-yloxy)phenyl]methanol SMILES: C1COCCC1OC2=CC=CC=C2CO

PubChem CID 22932192
CAS 478189-93-4
Molecular Weight (g/mol) 208.257
MDL Number MFCD09064960
SMILES C1COCCC1OC2=CC=CC=C2CO
Synonym 2-tetrahydropyran-4-yloxy phenyl methanol,2-oxan-4-yloxy phenyl methanol,2-oxan-4-yl oxy phenyl methanol,2-tetrahydro-2h-pyran-4-yloxy phenyl methanol,2-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,2-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol
IUPAC Name [2-(oxan-4-yloxy)phenyl]methanol
InChI Key RMRHXMQGVDIPCL-UHFFFAOYSA-N
Molecular Formula C12H16O3
2

(3-Thien-2-ylphenyl)methylamine, ≥97%, Thermo Scientific™

CAS: 859850-86-5 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 MDL Number: MFCD08435868 InChI Key: PZXHYHVAVDOMOR-UHFFFAOYSA-N Synonym: 3-thien-2-ylphenyl methylamine,3-thiophen-2-yl phenyl methanamine,1-3-thiophen-2-yl phenyl methanamine,3-thiophen-2-yl-benzylamine,3-2-thienyl phenyl methylamine,benzenemethanamine,3-2-thienyl PubChem CID: 18525771 IUPAC Name: (3-thiophen-2-ylphenyl)methanamine SMILES: C1=CC(=CC(=C1)CN)C2=CC=CS2

PubChem CID 18525771
CAS 859850-86-5
Molecular Weight (g/mol) 189.276
MDL Number MFCD08435868
SMILES C1=CC(=CC(=C1)CN)C2=CC=CS2
Synonym 3-thien-2-ylphenyl methylamine,3-thiophen-2-yl phenyl methanamine,1-3-thiophen-2-yl phenyl methanamine,3-thiophen-2-yl-benzylamine,3-2-thienyl phenyl methylamine,benzenemethanamine,3-2-thienyl
IUPAC Name (3-thiophen-2-ylphenyl)methanamine
InChI Key PZXHYHVAVDOMOR-UHFFFAOYSA-N
Molecular Formula C11H11NS
3

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
4

2-Chloro-4-(methylsulfonyl)benzoic acid, 95%, Thermo Scientific™

CAS: 53250-83-2 Molecular Formula: C8H6ClO4S Molecular Weight (g/mol): 233.64 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-M Synonym: 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1

PubChem CID 735863
CAS 53250-83-2
Molecular Weight (g/mol) 233.64
MDL Number MFCD00216496
SMILES CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1
Synonym 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa
IUPAC Name 2-chloro-4-methylsulfonylbenzoic acid
InChI Key CTTWSFIIFMWHLQ-UHFFFAOYSA-M
Molecular Formula C8H6ClO4S
5

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
7

5-Bromo-3-methyl-benzene-1,2-diamine, 97%, Thermo Scientific™

CAS: 76153-06-5 Molecular Formula: C7H9BrN2 Molecular Weight (g/mol): 201.067 InChI Key: UOFSLKHZOPVGHG-UHFFFAOYSA-N Synonym: 5-bromo-3-methyl-benzene-1,2-diamine,5-bromo-3-methyl-1,2-benzenediamine,1,2-benzenediamine, 5-bromo-3-methyl,2,3-diamino-5-bromotoluene,5-bromo-2,3-diaminotoluene,bromomethylbenzenediamine,pubchem22667,ksc642k2n,5-bromo-2,3-diamino-toluene,5-bromo-2.3-diamino-toluene PubChem CID: 1516397 IUPAC Name: 5-bromo-3-methylbenzene-1,2-diamine SMILES: CC1=CC(=CC(=C1N)N)Br

PubChem CID 1516397
CAS 76153-06-5
Molecular Weight (g/mol) 201.067
SMILES CC1=CC(=CC(=C1N)N)Br
Synonym 5-bromo-3-methyl-benzene-1,2-diamine,5-bromo-3-methyl-1,2-benzenediamine,1,2-benzenediamine, 5-bromo-3-methyl,2,3-diamino-5-bromotoluene,5-bromo-2,3-diaminotoluene,bromomethylbenzenediamine,pubchem22667,ksc642k2n,5-bromo-2,3-diamino-toluene,5-bromo-2.3-diamino-toluene
IUPAC Name 5-bromo-3-methylbenzene-1,2-diamine
InChI Key UOFSLKHZOPVGHG-UHFFFAOYSA-N
Molecular Formula C7H9BrN2
8

4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochlorideHemihydrate, 95%, Thermo Scientific™

CAS: 106261-49-8 Molecular Formula: C13H20Cl2N2O2 Molecular Weight (g/mol): 307.215 InChI Key: ISHROKOWRJDOSN-UHFFFAOYSA-N Synonym: 4-4-methylpiperazin-1-yl methyl benzoic acid dihydrochloride,4-4-methyl-1-piperazinyl methyl benzoic acid dihydrochloride,4-4-methylpiperazin-1-yl methyl,4-4-methylpiperazinomethyl benzoic acid dihydrochloride,benzoic acid, 4-4-methyl-1-piperazinyl methyl-, dihydrochloride,zlchem 396,ksc909c2h,4-4-methyl piperazino methyl benzoic acid 2hcl,4-4-methylpiperazin-1-yl methyl benzoic acid dih PubChem CID: 10335346 IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl

PubChem CID 10335346
CAS 106261-49-8
Molecular Weight (g/mol) 307.215
SMILES CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O.Cl.Cl
Synonym 4-4-methylpiperazin-1-yl methyl benzoic acid dihydrochloride,4-4-methyl-1-piperazinyl methyl benzoic acid dihydrochloride,4-4-methylpiperazin-1-yl methyl,4-4-methylpiperazinomethyl benzoic acid dihydrochloride,benzoic acid, 4-4-methyl-1-piperazinyl methyl-, dihydrochloride,zlchem 396,ksc909c2h,4-4-methyl piperazino methyl benzoic acid 2hcl,4-4-methylpiperazin-1-yl methyl benzoic acid dih
IUPAC Name 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride
InChI Key ISHROKOWRJDOSN-UHFFFAOYSA-N
Molecular Formula C13H20Cl2N2O2
9

4-(Trifluoromethyl)benzene-1-sulfonyl chloride, 97%, Thermo Scientific™

CAS: 2991-42-6 Molecular Formula: C7H4ClF3O2S Molecular Weight (g/mol): 244.61 MDL Number: MFCD00042422 InChI Key: OZDCZHDOIBUGAJ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl PubChem CID: 2777399 IUPAC Name: 4-(trifluoromethyl)benzenesulfonyl chloride SMILES: FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O

PubChem CID 2777399
CAS 2991-42-6
Molecular Weight (g/mol) 244.61
MDL Number MFCD00042422
SMILES FC(F)(F)C1=CC=C(C=C1)S(Cl)(=O)=O
Synonym 4-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzene-1-sulfonyl chloride,4-trifluoromethyl benzene sulfonyl chloride,p-trifluoromethylbenzenesulfonyl chloride,4-trifluoromethyl benzenesulfonylchloride,4-trifluoromethyl-benzenesulfonyl chloride,4-trifluoromethyl phenylsulfonyl chloride,p-trifluoromethyl benzenesulfonyl chloride,4-trifluoromethyl benzenesulphonyl chloride,benzenesulfonyl chloride, 4-trifluoromethyl
IUPAC Name 4-(trifluoromethyl)benzenesulfonyl chloride
InChI Key OZDCZHDOIBUGAJ-UHFFFAOYSA-N
Molecular Formula C7H4ClF3O2S
10

4-(1,3-Thiazol-2-yl)benzaldehyde, 95%, Thermo Scientific™

CAS: 198904-53-9 Molecular Formula: C10H7NOS Molecular Weight (g/mol): 189.23 MDL Number: MFCD06797780 InChI Key: LQLBILPEELCFQI-UHFFFAOYSA-N PubChem CID: 10535655 IUPAC Name: 4-(1,3-thiazol-2-yl)benzaldehyde SMILES: O=CC1=CC=C(C=C1)C1=NC=CS1

PubChem CID 10535655
CAS 198904-53-9
Molecular Weight (g/mol) 189.23
MDL Number MFCD06797780
SMILES O=CC1=CC=C(C=C1)C1=NC=CS1
IUPAC Name 4-(1,3-thiazol-2-yl)benzaldehyde
InChI Key LQLBILPEELCFQI-UHFFFAOYSA-N
Molecular Formula C10H7NOS
11

2-Nitro-4-(trifluoromethoxy)aniline, 95%, Thermo Scientific™

CAS: 2267-23-4 Molecular Formula: C7H5F3N2O3 Molecular Weight (g/mol): 222.12 MDL Number: MFCD00042326 InChI Key: YCGFVAPIBALHRT-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethoxy aniline,2-amino-5-trifluoromethoxy nitrobenzene,benzenamine, 2-nitro-4-trifluoromethoxy,1-amino-2-nitro-4-trifluoromethoxy benzene,2-nitro-4-trifluoromethoxy phenylamine,4-amino-3-nitro-alpha,alpha,alpha-trifluoroanisole,pubchem8514,acmc-1cnwp,ksc496g9b,2-nitro4-trifluoromethoxyaniline PubChem CID: 2775772 IUPAC Name: 2-nitro-4-(trifluoromethoxy)aniline SMILES: NC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O

PubChem CID 2775772
CAS 2267-23-4
Molecular Weight (g/mol) 222.12
MDL Number MFCD00042326
SMILES NC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O
Synonym 2-nitro-4-trifluoromethoxy aniline,2-amino-5-trifluoromethoxy nitrobenzene,benzenamine, 2-nitro-4-trifluoromethoxy,1-amino-2-nitro-4-trifluoromethoxy benzene,2-nitro-4-trifluoromethoxy phenylamine,4-amino-3-nitro-alpha,alpha,alpha-trifluoroanisole,pubchem8514,acmc-1cnwp,ksc496g9b,2-nitro4-trifluoromethoxyaniline
IUPAC Name 2-nitro-4-(trifluoromethoxy)aniline
InChI Key YCGFVAPIBALHRT-UHFFFAOYSA-N
Molecular Formula C7H5F3N2O3
12

4-(1h-Imidazol-1-ylmethyl)benzaldehyde, 97%, Thermo Scientific™

CAS: 102432-03-1 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: PYVCQHSLEIAQET-UHFFFAOYSA-N PubChem CID: 11126983 IUPAC Name: 4-(imidazol-1-ylmethyl)benzaldehyde SMILES: C1=CC(=CC=C1CN2C=CN=C2)C=O

PubChem CID 11126983
CAS 102432-03-1
Molecular Weight (g/mol) 186.214
SMILES C1=CC(=CC=C1CN2C=CN=C2)C=O
IUPAC Name 4-(imidazol-1-ylmethyl)benzaldehyde
InChI Key PYVCQHSLEIAQET-UHFFFAOYSA-N
Molecular Formula C11H10N2O
14

5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid, Thermo Scientific™

CAS: 499771-21-0 Molecular Formula: C11H8F3N3O2 Molecular Weight (g/mol): 271.199 InChI Key: IRJLZHQBWAUKGA-UHFFFAOYSA-N Synonym: 5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1,2,3-triazole-4-carboxylic acid,maybridge1_002663,5-methyl-1-3-trifluoromethyl phenyl-4-triazolecarboxylic acid,5-methyl-1-3-trifluoromethyl phenyl triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4carboxylic acid PubChem CID: 2804089 IUPAC Name: 5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid SMILES: CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O

PubChem CID 2804089
CAS 499771-21-0
Molecular Weight (g/mol) 271.199
SMILES CC1=C(N=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O
Synonym 5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1,2,3-triazole-4-carboxylic acid,maybridge1_002663,5-methyl-1-3-trifluoromethyl phenyl-4-triazolecarboxylic acid,5-methyl-1-3-trifluoromethyl phenyl triazole-4-carboxylic acid,5-methyl-1-3-trifluoromethyl phenyl-1h-1,2,3-triazole-4carboxylic acid
IUPAC Name 5-methyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid
InChI Key IRJLZHQBWAUKGA-UHFFFAOYSA-N
Molecular Formula C11H8F3N3O2
15

3-[3-(chloromethyl)phenyl]-1-methyl-1H-pyrazole, Tech., Thermo Scientific™

CAS: 912569-61-0 Molecular Formula: C11H11ClN2 Molecular Weight (g/mol): 206.673 MDL Number: MFCD09702402 InChI Key: XEIKNZPKJWESHW-UHFFFAOYSA-N Synonym: 3-3-chloromethyl phenyl-1-methyl-1h-pyrazole,3-3-chloromethyl phenyl-1-methylpyrazole PubChem CID: 24229632 IUPAC Name: 3-[3-(chloromethyl)phenyl]-1-methylpyrazole SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)CCl

PubChem CID 24229632
CAS 912569-61-0
Molecular Weight (g/mol) 206.673
MDL Number MFCD09702402
SMILES CN1C=CC(=N1)C2=CC(=CC=C2)CCl
Synonym 3-3-chloromethyl phenyl-1-methyl-1h-pyrazole,3-3-chloromethyl phenyl-1-methylpyrazole
IUPAC Name 3-[3-(chloromethyl)phenyl]-1-methylpyrazole
InChI Key XEIKNZPKJWESHW-UHFFFAOYSA-N
Molecular Formula C11H11ClN2