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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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Trifluoromethylbenzenes (107)
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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

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
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-(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
6

2-bromo-1-(2-phenoxyphenyl)ethanone, Thermo Scientific™

CAS: 94402-42-3 Molecular Formula: C14H11BrO2 Molecular Weight (g/mol): 291.144 MDL Number: MFCD08435906 InChI Key: UWRDQDVDGPRCKR-UHFFFAOYSA-N Synonym: 2-bromo-1-2-phenoxyphenyl ethanone,2-bromo-1-2-phenoxyphenyl ethan-1-one,2-phenoxy phenacyl bromide,2-bromoacetyl diphenyl ether PubChem CID: 13074046 IUPAC Name: 2-bromo-1-(2-phenoxyphenyl)ethanone SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)CBr

PubChem CID 13074046
CAS 94402-42-3
Molecular Weight (g/mol) 291.144
MDL Number MFCD08435906
SMILES C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)CBr
Synonym 2-bromo-1-2-phenoxyphenyl ethanone,2-bromo-1-2-phenoxyphenyl ethan-1-one,2-phenoxy phenacyl bromide,2-bromoacetyl diphenyl ether
IUPAC Name 2-bromo-1-(2-phenoxyphenyl)ethanone
InChI Key UWRDQDVDGPRCKR-UHFFFAOYSA-N
Molecular Formula C14H11BrO2
7

4-phenylbutyl isothiocyanate, Thermo Scientific™

CAS: 61499-10-3 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00052335 InChI Key: CCBQOLFAKKAMLD-UHFFFAOYSA-N Synonym: 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci PubChem CID: 124881 IUPAC Name: 4-isothiocyanatobutylbenzene SMILES: C1=CC=C(C=C1)CCCCN=C=S

PubChem CID 124881
CAS 61499-10-3
Molecular Weight (g/mol) 191.292
MDL Number MFCD00052335
SMILES C1=CC=C(C=C1)CCCCN=C=S
Synonym 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci
IUPAC Name 4-isothiocyanatobutylbenzene
InChI Key CCBQOLFAKKAMLD-UHFFFAOYSA-N
Molecular Formula C11H13NS
8

N-[3-(2-Furyl)benzyl]-N-methylamine, ≥97%, Thermo Scientific™

CAS: 857284-27-6 Molecular Formula: C12H13NO Molecular Weight (g/mol): 187.242 MDL Number: MFCD08435877 InChI Key: WMCXJYGZLCREMM-UHFFFAOYSA-N Synonym: n-3-2-furyl benzyl-n-methylamine,3-furan-2-yl phenyl methyl methyl amine,1-3-furan-2-yl phenyl-n-methylmethanamine,3-2-furyl phenyl methyl methylamine,benzenemethanamine,3-2-furanyl-n-methyl PubChem CID: 18525790 IUPAC Name: 1-[3-(furan-2-yl)phenyl]-N-methylmethanamine SMILES: CNCC1=CC=CC(=C1)C2=CC=CO2

PubChem CID 18525790
CAS 857284-27-6
Molecular Weight (g/mol) 187.242
MDL Number MFCD08435877
SMILES CNCC1=CC=CC(=C1)C2=CC=CO2
Synonym n-3-2-furyl benzyl-n-methylamine,3-furan-2-yl phenyl methyl methyl amine,1-3-furan-2-yl phenyl-n-methylmethanamine,3-2-furyl phenyl methyl methylamine,benzenemethanamine,3-2-furanyl-n-methyl
IUPAC Name 1-[3-(furan-2-yl)phenyl]-N-methylmethanamine
InChI Key WMCXJYGZLCREMM-UHFFFAOYSA-N
Molecular Formula C12H13NO
9

methyl N-(3,5-dichlorophenyl)carbamate, Thermo Scientific™

CAS: 25217-43-0 Molecular Formula: C8H7Cl2NO2 Molecular Weight (g/mol): 220.05 MDL Number: MFCD00126402 InChI Key: FRSRGACXHCLBTC-UHFFFAOYSA-N Synonym: methyl 3,5-dichlorophenyl carbamate,methyl n-3,5-dichlorophenyl carbamate,mdpc,methyl 3,5-dichlorocarbanilate,3,5-dichlorocarbanilic acid methyl ester,carbamic acid, 3,5-dichlorophenyl-, methyl ester 9ci,carbanilic acid, 3,5-dichloro-, methyl ester,n-3,5-dichlorophenyl methoxycarboxamide,maybridge1_000169 PubChem CID: 32842 IUPAC Name: methyl N-(3,5-dichlorophenyl)carbamate SMILES: COC(=O)NC1=CC(Cl)=CC(Cl)=C1

PubChem CID 32842
CAS 25217-43-0
Molecular Weight (g/mol) 220.05
MDL Number MFCD00126402
SMILES COC(=O)NC1=CC(Cl)=CC(Cl)=C1
Synonym methyl 3,5-dichlorophenyl carbamate,methyl n-3,5-dichlorophenyl carbamate,mdpc,methyl 3,5-dichlorocarbanilate,3,5-dichlorocarbanilic acid methyl ester,carbamic acid, 3,5-dichlorophenyl-, methyl ester 9ci,carbanilic acid, 3,5-dichloro-, methyl ester,n-3,5-dichlorophenyl methoxycarboxamide,maybridge1_000169
IUPAC Name methyl N-(3,5-dichlorophenyl)carbamate
InChI Key FRSRGACXHCLBTC-UHFFFAOYSA-N
Molecular Formula C8H7Cl2NO2
12

3-[3-(Dimethylamino)propoxy]-N-methylbenzylamine, 97%, Thermo Scientific™

CAS: 910037-03-5 Molecular Formula: C13H22N2O Molecular Weight (g/mol): 222.33 MDL Number: MFCD09064992 InChI Key: ODWHICGCLWFLBT-UHFFFAOYSA-N Synonym: 3-3-dimethylamino propoxy-n-methylbenzylamine,dimethyl 3-3-methylamino methyl phenoxy propyl amine,3-3-dimethylamino propoxy phenyl methyl methyl amine,n,n-dimethyl-3-3-methylamino methyl phenoxy propan-1-amine,benzenemethanamine, 3-3-dimethylamino propoxy-n-methyl,benzenemethanamine,3-3-dimethylamino propoxy-n-methyl PubChem CID: 24229606 IUPAC Name: N,N-dimethyl-3-[3-(methylaminomethyl)phenoxy]propan-1-amine SMILES: CNCC1=CC(OCCCN(C)C)=CC=C1

PubChem CID 24229606
CAS 910037-03-5
Molecular Weight (g/mol) 222.33
MDL Number MFCD09064992
SMILES CNCC1=CC(OCCCN(C)C)=CC=C1
Synonym 3-3-dimethylamino propoxy-n-methylbenzylamine,dimethyl 3-3-methylamino methyl phenoxy propyl amine,3-3-dimethylamino propoxy phenyl methyl methyl amine,n,n-dimethyl-3-3-methylamino methyl phenoxy propan-1-amine,benzenemethanamine, 3-3-dimethylamino propoxy-n-methyl,benzenemethanamine,3-3-dimethylamino propoxy-n-methyl
IUPAC Name N,N-dimethyl-3-[3-(methylaminomethyl)phenoxy]propan-1-amine
InChI Key ODWHICGCLWFLBT-UHFFFAOYSA-N
Molecular Formula C13H22N2O
15

4-(3-Bromothien-2-yl)benzaldehyde, 97%, Thermo Scientific™

CAS: 934570-51-1 Molecular Formula: C11H7BrOS Molecular Weight (g/mol): 267.14 MDL Number: MFCD09879968 InChI Key: BTYZFUJFFBNJTP-UHFFFAOYSA-N Synonym: 4-3-bromothien-2-yl benzaldehyde,4-3-bromothiophen-2-yl benzaldehyde PubChem CID: 24229751 IUPAC Name: 4-(3-bromothiophen-2-yl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C2=C(C=CS2)Br

PubChem CID 24229751
CAS 934570-51-1
Molecular Weight (g/mol) 267.14
MDL Number MFCD09879968
SMILES C1=CC(=CC=C1C=O)C2=C(C=CS2)Br
Synonym 4-3-bromothien-2-yl benzaldehyde,4-3-bromothiophen-2-yl benzaldehyde
IUPAC Name 4-(3-bromothiophen-2-yl)benzaldehyde
InChI Key BTYZFUJFFBNJTP-UHFFFAOYSA-N
Molecular Formula C11H7BrOS