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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 (206)
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1 – 15 of 407 results
1

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
2

4-bromobenzaldehyde, Thermo Scientific™

CAS: 1122-91-4 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 InChI Key: ZRYZBQLXDKPBDU-UHFFFAOYSA-N Synonym: p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd PubChem CID: 70741 IUPAC Name: 4-bromobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Br

PubChem CID 70741
CAS 1122-91-4
Molecular Weight (g/mol) 185.02
SMILES C1=CC(=CC=C1C=O)Br
Synonym p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd
IUPAC Name 4-bromobenzaldehyde
InChI Key ZRYZBQLXDKPBDU-UHFFFAOYSA-N
Molecular Formula C7H5BrO
3

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
4

3-(1,3-Thiazol-2-yl)benzaldehyde, 97%, Thermo Scientific™

CAS: 885465-97-4 Molecular Formula: C10H7NOS Molecular Weight (g/mol): 189.232 MDL Number: MFCD06797781 InChI Key: YJMGIEKCDQXKKZ-UHFFFAOYSA-N Synonym: 3-thiazol-2-yl-benzaldehyde,3-1,3-thiazol-2-yl benzaldehyde,3-thiazol-2-yl benzaldehyde,benzaldehyde,3-2-thiazolyl,benzaldehyde, 3-2-thiazolyl PubChem CID: 18525725 IUPAC Name: 3-(1,3-thiazol-2-yl)benzaldehyde SMILES: C1=CC(=CC(=C1)C=O)C2=NC=CS2

PubChem CID 18525725
CAS 885465-97-4
Molecular Weight (g/mol) 189.232
MDL Number MFCD06797781
SMILES C1=CC(=CC(=C1)C=O)C2=NC=CS2
Synonym 3-thiazol-2-yl-benzaldehyde,3-1,3-thiazol-2-yl benzaldehyde,3-thiazol-2-yl benzaldehyde,benzaldehyde,3-2-thiazolyl,benzaldehyde, 3-2-thiazolyl
IUPAC Name 3-(1,3-thiazol-2-yl)benzaldehyde
InChI Key YJMGIEKCDQXKKZ-UHFFFAOYSA-N
Molecular Formula C10H7NOS
5

N-Methyl-3-(1,3-thiazol-2-yl)benzylamine, 95%, Thermo Scientific™

CAS: 892501-89-2 Molecular Formula: C11H12N2S Molecular Weight (g/mol): 204.291 MDL Number: MFCD09025830 InChI Key: MNTPWZTYKCKBQX-UHFFFAOYSA-N Synonym: n-methyl-3-1,3-thiazol-2-yl benzylamine,n-methyl-1-3-thiazol-2-yl phenyl methanamine,methyl 3-1,3-thiazol-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-thiazolyl,n-methyl-1-3-1,3-thiazol-2-yl phenyl methanamine PubChem CID: 18525729 IUPAC Name: N-methyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine SMILES: CNCC1=CC=CC(=C1)C2=NC=CS2

PubChem CID 18525729
CAS 892501-89-2
Molecular Weight (g/mol) 204.291
MDL Number MFCD09025830
SMILES CNCC1=CC=CC(=C1)C2=NC=CS2
Synonym n-methyl-3-1,3-thiazol-2-yl benzylamine,n-methyl-1-3-thiazol-2-yl phenyl methanamine,methyl 3-1,3-thiazol-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-thiazolyl,n-methyl-1-3-1,3-thiazol-2-yl phenyl methanamine
IUPAC Name N-methyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
InChI Key MNTPWZTYKCKBQX-UHFFFAOYSA-N
Molecular Formula C11H12N2S
6

3-[3-(Bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole 97+%, Thermo Scientific™

CAS: 253273-90-4 Molecular Formula: C10H9BrN2O Molecular Weight (g/mol): 253.099 InChI Key: CERZNQPNTHWEAD-UHFFFAOYSA-N Synonym: 3-3-bromomethyl phenyl-5-methyl-1,2,4-oxadiazole,3-3-bromomethylphenyl-5-methyl-1,2,4-oxadiazole,3-5-methyl-1,2,4-oxadiazol-3-yl benzyl bromide,1,2,4-oxadiazole,3-3-bromomethyl phenyl-5-methyl,3-3-bromomethyl phenyl-5-methyl-1,2,4-oxadiazol PubChem CID: 7060548 IUPAC Name: 3-[3-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole SMILES: CC1=NC(=NO1)C2=CC(=CC=C2)CBr

PubChem CID 7060548
CAS 253273-90-4
Molecular Weight (g/mol) 253.099
SMILES CC1=NC(=NO1)C2=CC(=CC=C2)CBr
Synonym 3-3-bromomethyl phenyl-5-methyl-1,2,4-oxadiazole,3-3-bromomethylphenyl-5-methyl-1,2,4-oxadiazole,3-5-methyl-1,2,4-oxadiazol-3-yl benzyl bromide,1,2,4-oxadiazole,3-3-bromomethyl phenyl-5-methyl,3-3-bromomethyl phenyl-5-methyl-1,2,4-oxadiazol
IUPAC Name 3-[3-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole
InChI Key CERZNQPNTHWEAD-UHFFFAOYSA-N
Molecular Formula C10H9BrN2O
7

[2-(2-Morpholinoethoxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 106276-04-4 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD07772843 InChI Key: MJDMCSJTOOAYPS-UHFFFAOYSA-N Synonym: 2-2-morpholinoethoxy phenyl methanol,2-2-morpholin-4-yl ethoxy phenyl methanol,2-2-morpholin-4-ylethoxy phenyl methanol,2-2-morpholin-4-yl-ethoxy-phenyl-methanol,2-2-morpholin-4-ylethoxy phenyl methan-1-ol PubChem CID: 7164615 IUPAC Name: [2-(2-morpholin-4-ylethoxy)phenyl]methanol SMILES: C1COCCN1CCOC2=CC=CC=C2CO

PubChem CID 7164615
CAS 106276-04-4
Molecular Weight (g/mol) 237.299
MDL Number MFCD07772843
SMILES C1COCCN1CCOC2=CC=CC=C2CO
Synonym 2-2-morpholinoethoxy phenyl methanol,2-2-morpholin-4-yl ethoxy phenyl methanol,2-2-morpholin-4-ylethoxy phenyl methanol,2-2-morpholin-4-yl-ethoxy-phenyl-methanol,2-2-morpholin-4-ylethoxy phenyl methan-1-ol
IUPAC Name [2-(2-morpholin-4-ylethoxy)phenyl]methanol
InChI Key MJDMCSJTOOAYPS-UHFFFAOYSA-N
Molecular Formula C13H19NO3
8

[3-(2-Morpholinoethoxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 857284-07-2 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD07772846 InChI Key: DZHYOLUKMGNRTO-UHFFFAOYSA-N Synonym: 3-2-morpholinoethoxy phenyl methanol,3-2-morpholin-4-yl ethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methan-1-ol PubChem CID: 7164622 IUPAC Name: [3-(2-morpholin-4-ylethoxy)phenyl]methanol SMILES: C1COCCN1CCOC2=CC=CC(=C2)CO

PubChem CID 7164622
CAS 857284-07-2
Molecular Weight (g/mol) 237.299
MDL Number MFCD07772846
SMILES C1COCCN1CCOC2=CC=CC(=C2)CO
Synonym 3-2-morpholinoethoxy phenyl methanol,3-2-morpholin-4-yl ethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methan-1-ol
IUPAC Name [3-(2-morpholin-4-ylethoxy)phenyl]methanol
InChI Key DZHYOLUKMGNRTO-UHFFFAOYSA-N
Molecular Formula C13H19NO3
9

[2-(2-Morpholinoethoxy)phenyl]methylamine, 97%, Thermo Scientific™

CAS: 540753-13-7 Molecular Formula: C13H20N2O2 Molecular Weight (g/mol): 236.315 MDL Number: MFCD08060517 InChI Key: QHAMTJRGPZWTSO-UHFFFAOYSA-N Synonym: 2-2-morpholinoethoxy phenyl methylamine,2-2-morpholin-4-yl ethoxy phenyl methanamine,2-2-morpholin-4-yl-ethoxy-benzylamine,1-2-2-morpholin-4-yl ethoxy phenyl methanamine,2-2-morpholin-4-ylethoxy phenyl methanamine,2-2-morpholinoethoxy phenyl methanamine,2-2-morpholin-4-ylethoxy phenyl methylamine PubChem CID: 7537544 IUPAC Name: [2-(2-morpholin-4-ylethoxy)phenyl]methanamine SMILES: C1COCCN1CCOC2=CC=CC=C2CN

PubChem CID 7537544
CAS 540753-13-7
Molecular Weight (g/mol) 236.315
MDL Number MFCD08060517
SMILES C1COCCN1CCOC2=CC=CC=C2CN
Synonym 2-2-morpholinoethoxy phenyl methylamine,2-2-morpholin-4-yl ethoxy phenyl methanamine,2-2-morpholin-4-yl-ethoxy-benzylamine,1-2-2-morpholin-4-yl ethoxy phenyl methanamine,2-2-morpholin-4-ylethoxy phenyl methanamine,2-2-morpholinoethoxy phenyl methanamine,2-2-morpholin-4-ylethoxy phenyl methylamine
IUPAC Name [2-(2-morpholin-4-ylethoxy)phenyl]methanamine
InChI Key QHAMTJRGPZWTSO-UHFFFAOYSA-N
Molecular Formula C13H20N2O2
10

[3-(1H-Imidazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 151055-79-7 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD08271918 InChI Key: TXQZIKDWFOLTSC-UHFFFAOYSA-N PubChem CID: 10397593 IUPAC Name: [3-(imidazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)CN2C=CN=C2

PubChem CID 10397593
CAS 151055-79-7
Molecular Weight (g/mol) 188.23
MDL Number MFCD08271918
SMILES C1=CC(=CC(=C1)CO)CN2C=CN=C2
IUPAC Name [3-(imidazol-1-ylmethyl)phenyl]methanol
InChI Key TXQZIKDWFOLTSC-UHFFFAOYSA-N
Molecular Formula C11H12N2O
11

1-(3-Bromobenzyl)-1H-imidazole, ≥97%, Thermo Scientific™

CAS: 72459-47-3 Molecular Formula: C10H9BrN2 Molecular Weight (g/mol): 237.10 MDL Number: MFCD08271919 InChI Key: BGYZLOIBJCHCTI-UHFFFAOYSA-N Synonym: 1-3-bromobenzyl-1h-imidazole,1-3-bromophenyl methyl imidazole,1-3-bromobenzyl imidazole,1-3-bromophenyl methyl-1h-imidazole,1h-imidazole,1-3-bromophenyl methyl,d07jmo,3-bromophenyl methyl imidazole PubChem CID: 10220337 IUPAC Name: 1-[(3-bromophenyl)methyl]imidazole SMILES: BrC1=CC=CC(CN2C=CN=C2)=C1

PubChem CID 10220337
CAS 72459-47-3
Molecular Weight (g/mol) 237.10
MDL Number MFCD08271919
SMILES BrC1=CC=CC(CN2C=CN=C2)=C1
Synonym 1-3-bromobenzyl-1h-imidazole,1-3-bromophenyl methyl imidazole,1-3-bromobenzyl imidazole,1-3-bromophenyl methyl-1h-imidazole,1h-imidazole,1-3-bromophenyl methyl,d07jmo,3-bromophenyl methyl imidazole
IUPAC Name 1-[(3-bromophenyl)methyl]imidazole
InChI Key BGYZLOIBJCHCTI-UHFFFAOYSA-N
Molecular Formula C10H9BrN2
12

2-[3-(Bromomethyl)phenyl]thiophene, ≥97%, Thermo Scientific™

CAS: 85553-44-2 Molecular Formula: C11H9BrS Molecular Weight (g/mol): 253.157 MDL Number: MFCD08435867 InChI Key: JQQDEBDYUAKNGD-UHFFFAOYSA-N Synonym: 2-3-bromomethyl phenyl thiophene,3-2-thienyl benzyl bromide,2-3-bromomethyl phenyl-thiophene PubChem CID: 13150400 IUPAC Name: 2-[3-(bromomethyl)phenyl]thiophene SMILES: C1=CC(=CC(=C1)CBr)C2=CC=CS2

PubChem CID 13150400
CAS 85553-44-2
Molecular Weight (g/mol) 253.157
MDL Number MFCD08435867
SMILES C1=CC(=CC(=C1)CBr)C2=CC=CS2
Synonym 2-3-bromomethyl phenyl thiophene,3-2-thienyl benzyl bromide,2-3-bromomethyl phenyl-thiophene
IUPAC Name 2-[3-(bromomethyl)phenyl]thiophene
InChI Key JQQDEBDYUAKNGD-UHFFFAOYSA-N
Molecular Formula C11H9BrS
13

4-[(4-Methylpiperazin-1-yl)methyl]benzaldehyde, 97%, Thermo Scientific™

CAS: 439691-80-2 Molecular Formula: C13H18N2O Molecular Weight (g/mol): 218.3 InChI Key: DJJFKXUSAXIMLS-UHFFFAOYSA-N Synonym: 4-4-methylpiperazin-1-yl methyl benzaldehyde,1-4-formylbenzyl-4-methylpiperazine,benzaldehyde,4-4-methyl-1-piperazinyl methyl,4-4-methylpiperazino methyl benzaldehyde,4-4-methylpiperazinyl methyl benzaldehyde,4-4-methyl piperazin-1-ylmethyl benzaldehyde,4-4-methyl-1-piperazinyl methyl benzaldehyde PubChem CID: 7164651 IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C=O

PubChem CID 7164651
CAS 439691-80-2
Molecular Weight (g/mol) 218.3
SMILES CN1CCN(CC1)CC2=CC=C(C=C2)C=O
Synonym 4-4-methylpiperazin-1-yl methyl benzaldehyde,1-4-formylbenzyl-4-methylpiperazine,benzaldehyde,4-4-methyl-1-piperazinyl methyl,4-4-methylpiperazino methyl benzaldehyde,4-4-methylpiperazinyl methyl benzaldehyde,4-4-methyl piperazin-1-ylmethyl benzaldehyde,4-4-methyl-1-piperazinyl methyl benzaldehyde
IUPAC Name 4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
InChI Key DJJFKXUSAXIMLS-UHFFFAOYSA-N
Molecular Formula C13H18N2O
14

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
15

2-(3-Bromophenyl)furan, ≥97%, Thermo Scientific™

CAS: 85553-51-1 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.07 MDL Number: MFCD07775615 InChI Key: YQTIZEZABLIGPW-UHFFFAOYSA-N Synonym: 2-3-bromophenyl furan,2-3-bromo-phenyl-furan,furan,2-3-bromophenyl PubChem CID: 10609118 IUPAC Name: 2-(3-bromophenyl)furan SMILES: BrC1=CC=CC(=C1)C1=CC=CO1

PubChem CID 10609118
CAS 85553-51-1
Molecular Weight (g/mol) 223.07
MDL Number MFCD07775615
SMILES BrC1=CC=CC(=C1)C1=CC=CO1
Synonym 2-3-bromophenyl furan,2-3-bromo-phenyl-furan,furan,2-3-bromophenyl
IUPAC Name 2-(3-bromophenyl)furan
InChI Key YQTIZEZABLIGPW-UHFFFAOYSA-N
Molecular Formula C10H7BrO