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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)
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Keyword Search:
1 – 15 of 590 results
1

4-(tert-Butyl)phenyl isocyanate, 97%, Thermo Scientific™

CAS: 1943-67-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD00040718 InChI Key: WUWBDQJTQTVBSQ-UHFFFAOYSA-N Synonym: 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate PubChem CID: 2735695 IUPAC Name: 1-tert-butyl-4-isocyanatobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)N=C=O

EDGE
PubChem CID 2735695
CAS 1943-67-5
Molecular Weight (g/mol) 175.231
MDL Number MFCD00040718
SMILES CC(C)(C)C1=CC=C(C=C1)N=C=O
Synonym 4-tert-butylphenyl isocyanate,4-tert-butylphenylisocyanate,benzene, 1-1,1-dimethylethyl-4-isocyanato,4-tert-butylphenyl-isocyanate,4-tert-butyl phenyl isocyanate,1-tert-butyl-4-isocyanato-benzene,benzene,1-1,1-dimethylethyl-4-isocyanato,4-t-butylphenylisocyanate,acmc-209ey5,4-tertbutylphenyl isocyanate
IUPAC Name 1-tert-butyl-4-isocyanatobenzene
InChI Key WUWBDQJTQTVBSQ-UHFFFAOYSA-N
Molecular Formula C11H13NO
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-[(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
4

[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
5

(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
6

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

CAS: 926921-57-5 Molecular Formula: C10H9BrN2O Molecular Weight (g/mol): 253.099 MDL Number: MFCD09817470 InChI Key: WKTARCMEMVHRLR-UHFFFAOYSA-N Synonym: 5-3-bromomethyl phenyl-3-methyl-1,2,4-oxadiazole,3-3-methyl-1,2,4-oxadiazol-5-yl benzyl bromide,5-3-bromomethyl phenyl-3-methyl-1,2,4-oxadiazol,alpha-bromo-3-3-methyl-1,2,4-oxadiazol-5-yl toluene,1-bromomethyl-3-3-methyl-1,2,4-oxadiazol-5-yl benzene,pubchem23332 PubChem CID: 24229497 IUPAC Name: 5-[3-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole SMILES: CC1=NOC(=N1)C2=CC(=CC=C2)CBr

PubChem CID 24229497
CAS 926921-57-5
Molecular Weight (g/mol) 253.099
MDL Number MFCD09817470
SMILES CC1=NOC(=N1)C2=CC(=CC=C2)CBr
Synonym 5-3-bromomethyl phenyl-3-methyl-1,2,4-oxadiazole,3-3-methyl-1,2,4-oxadiazol-5-yl benzyl bromide,5-3-bromomethyl phenyl-3-methyl-1,2,4-oxadiazol,alpha-bromo-3-3-methyl-1,2,4-oxadiazol-5-yl toluene,1-bromomethyl-3-3-methyl-1,2,4-oxadiazol-5-yl benzene,pubchem23332
IUPAC Name 5-[3-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole
InChI Key WKTARCMEMVHRLR-UHFFFAOYSA-N
Molecular Formula C10H9BrN2O
8

1-(2-Thien-2-ylphenyl)methanamine hydrochloride, ≥95%, Thermo Scientific™

CAS: 863991-95-1 Molecular Formula: C11H12ClNS Molecular Weight (g/mol): 225.73 MDL Number: MFCD07772821 InChI Key: XLJIHGHEJAGJJC-UHFFFAOYSA-N Synonym: 1-2-thien-2-ylphenyl methanamine hydrochloride,1-2-thien-2-ylphenyl methylamine hydrochloride,2-thiophen-2-yl phenyl methanamine hydrochloride,1-2-thien-2-ylphenyl methanaminehydrochloride,1-2-thiophen-2-yl phenyl methanamine hydrochloride,c11h11ns.hcl,2-thiophen-2-yl-benzylamine hydrochloride,2-2-thienyl phenyl methylamine, chloride,2-thien-2-yl phenyl methylamine hydrochloride PubChem CID: 18525724 IUPAC Name: 1-[2-(thiophen-2-yl)phenyl]methanamine hydrochloride SMILES: Cl.NCC1=CC=CC=C1C1=CC=CS1

PubChem CID 18525724
CAS 863991-95-1
Molecular Weight (g/mol) 225.73
MDL Number MFCD07772821
SMILES Cl.NCC1=CC=CC=C1C1=CC=CS1
Synonym 1-2-thien-2-ylphenyl methanamine hydrochloride,1-2-thien-2-ylphenyl methylamine hydrochloride,2-thiophen-2-yl phenyl methanamine hydrochloride,1-2-thien-2-ylphenyl methanaminehydrochloride,1-2-thiophen-2-yl phenyl methanamine hydrochloride,c11h11ns.hcl,2-thiophen-2-yl-benzylamine hydrochloride,2-2-thienyl phenyl methylamine, chloride,2-thien-2-yl phenyl methylamine hydrochloride
IUPAC Name 1-[2-(thiophen-2-yl)phenyl]methanamine hydrochloride
InChI Key XLJIHGHEJAGJJC-UHFFFAOYSA-N
Molecular Formula C11H12ClNS
10

2-Bromo-1-{4-methyl-2-[4-(trifluoromethyl)phenyl]1,3-thiazol-5-yl}-1-ethanone, ≥97%, Thermo Scientific™

CAS: 845885-81-6 Molecular Formula: C13H9BrF3NOS Molecular Weight (g/mol): 364.18 MDL Number: MFCD05664414 InChI Key: XGHUMHHAMHEPCS-UHFFFAOYSA-N Synonym: 2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-5-thiazolyl PubChem CID: 2794631 IUPAC Name: 2-bromo-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone SMILES: CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CBr

PubChem CID 2794631
CAS 845885-81-6
Molecular Weight (g/mol) 364.18
MDL Number MFCD05664414
SMILES CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CBr
Synonym 2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl-1-ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-1,3-thiazol-5-yl ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl thiazol-5-yl ethanone,ethanone,2-bromo-1-4-methyl-2-4-trifluoromethyl phenyl-5-thiazolyl
IUPAC Name 2-bromo-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
InChI Key XGHUMHHAMHEPCS-UHFFFAOYSA-N
Molecular Formula C13H9BrF3NOS
11

[4-(1H-Imidazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 103573-92-8 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD08271921 InChI Key: FSLVBXCLXDGFRE-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-ylmethyl phenyl methanol,4-imidazol-1-ylmethyl phenyl methanol,4-1h-imidazol-1-yl methyl phenyl methanol,d0n8qd,4-imidazolylmethyl phenyl methan-1-ol,4-1h-imidazole-1-ylmethyl benzenemethanol,4-1h-imidazol-1-yl methyl phenylmethanol,benzenemethanol,4-1h-imidazol-1-ylmethyl PubChem CID: 15594569 IUPAC Name: [4-(imidazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CN2C=CN=C2)CO

PubChem CID 15594569
CAS 103573-92-8
Molecular Weight (g/mol) 188.23
MDL Number MFCD08271921
SMILES C1=CC(=CC=C1CN2C=CN=C2)CO
Synonym 4-1h-imidazol-1-ylmethyl phenyl methanol,4-imidazol-1-ylmethyl phenyl methanol,4-1h-imidazol-1-yl methyl phenyl methanol,d0n8qd,4-imidazolylmethyl phenyl methan-1-ol,4-1h-imidazole-1-ylmethyl benzenemethanol,4-1h-imidazol-1-yl methyl phenylmethanol,benzenemethanol,4-1h-imidazol-1-ylmethyl
IUPAC Name [4-(imidazol-1-ylmethyl)phenyl]methanol
InChI Key FSLVBXCLXDGFRE-UHFFFAOYSA-N
Molecular Formula C11H12N2O
12

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
13

5-(Benzyloxy)-2-bromo-4-methylaniline, 97%, Thermo Scientific™

CAS: 499770-88-6 Molecular Formula: C14H14BrNO Molecular Weight (g/mol): 292.176 MDL Number: MFCD04973043 InChI Key: FEMSDHJSFUHYSH-UHFFFAOYSA-N Synonym: 5-benzyloxy-2-bromo-4-methylaniline,benzyloxybromomethylaniline,5-benzyloxy-2-bromo-4-methyl-phenylamine PubChem CID: 7018023 IUPAC Name: 2-bromo-4-methyl-5-phenylmethoxyaniline SMILES: CC1=CC(=C(C=C1OCC2=CC=CC=C2)N)Br

PubChem CID 7018023
CAS 499770-88-6
Molecular Weight (g/mol) 292.176
MDL Number MFCD04973043
SMILES CC1=CC(=C(C=C1OCC2=CC=CC=C2)N)Br
Synonym 5-benzyloxy-2-bromo-4-methylaniline,benzyloxybromomethylaniline,5-benzyloxy-2-bromo-4-methyl-phenylamine
IUPAC Name 2-bromo-4-methyl-5-phenylmethoxyaniline
InChI Key FEMSDHJSFUHYSH-UHFFFAOYSA-N
Molecular Formula C14H14BrNO
14

2-(3,5-difluorophenyl)acetic acid, Thermo Scientific™

CAS: 105184-38-1 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 InChI Key: IGGNSAVLXJKCNH-UHFFFAOYSA-N Synonym: 3,5-difluorophenylacetic acid,2-3,5-difluorophenyl acetic acid,3,5-difluorophenylaceticacid,3,5-difluorobenzeneacetic acid,3,5-difluorophenyl acetic acid,3,5-difluoro-phenyl-acetic acid,benzeneacetic acid, 3,5-difluoro,3,5-diifluorophenylacetic acid,3,5-difluorophenylac PubChem CID: 145424 IUPAC Name: 2-(3,5-difluorophenyl)acetic acid SMILES: C1=C(C=C(C=C1F)F)CC(=O)O

PubChem CID 145424
CAS 105184-38-1
Molecular Weight (g/mol) 172.131
SMILES C1=C(C=C(C=C1F)F)CC(=O)O
Synonym 3,5-difluorophenylacetic acid,2-3,5-difluorophenyl acetic acid,3,5-difluorophenylaceticacid,3,5-difluorobenzeneacetic acid,3,5-difluorophenyl acetic acid,3,5-difluoro-phenyl-acetic acid,benzeneacetic acid, 3,5-difluoro,3,5-diifluorophenylacetic acid,3,5-difluorophenylac
IUPAC Name 2-(3,5-difluorophenyl)acetic acid
InChI Key IGGNSAVLXJKCNH-UHFFFAOYSA-N
Molecular Formula C8H6F2O2
15

Methyl 3-amino-5-hydroxybenzoate, 97%, Thermo Scientific™

CAS: 67973-80-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD09263220 InChI Key: DMNGQQIFOZYIRA-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxy-benzoic acid methyl ester,benzoic acid, 3-amino-5-hydroxy-, methyl ester,pubchem17212,acmc-1bgay,dmngqqifozyira-uhfffaoysa,methyl 3-amino-5-hydroxy-benzoate,3-amino-5-methoxycarbonyl phenol,3-hydroxy-5-methoxycarbonyl aniline,3-amino-5-hydroxybenzoic acid methyl ester,5-amino-3-hydroxybenzoic acid methyl ester PubChem CID: 12438277 IUPAC Name: methyl 3-amino-5-hydroxybenzoate SMILES: COC(=O)C1=CC(=CC(=C1)O)N

PubChem CID 12438277
CAS 67973-80-2
Molecular Weight (g/mol) 167.164
MDL Number MFCD09263220
SMILES COC(=O)C1=CC(=CC(=C1)O)N
Synonym 3-amino-5-hydroxy-benzoic acid methyl ester,benzoic acid, 3-amino-5-hydroxy-, methyl ester,pubchem17212,acmc-1bgay,dmngqqifozyira-uhfffaoysa,methyl 3-amino-5-hydroxy-benzoate,3-amino-5-methoxycarbonyl phenol,3-hydroxy-5-methoxycarbonyl aniline,3-amino-5-hydroxybenzoic acid methyl ester,5-amino-3-hydroxybenzoic acid methyl ester
IUPAC Name methyl 3-amino-5-hydroxybenzoate
InChI Key DMNGQQIFOZYIRA-UHFFFAOYSA-N
Molecular Formula C8H9NO3