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Benzenoids

Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (66)
Phenols (7)
Naphthalenes (3)
Unsubstituted Phenols (2)

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1 – 15 of 55 results
1

Iodopentafluorobenzene, 99%, stabilised over copper, Thermo Scientific Chemicals

CAS: 827-15-6 Molecular Formula: C6F5I Molecular Weight (g/mol): 293.96 InChI Key: OPYHNLNYCRZOGY-UHFFFAOYSA-N Synonym: iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982 PubChem CID: 70008 IUPAC Name: 1,2,3,4,5-pentafluoro-6-iodobenzene SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F

PubChem CID 70008
CAS 827-15-6
Molecular Weight (g/mol) 293.96
SMILES C1(=C(C(=C(C(=C1F)F)I)F)F)F
Synonym iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982
IUPAC Name 1,2,3,4,5-pentafluoro-6-iodobenzene
InChI Key OPYHNLNYCRZOGY-UHFFFAOYSA-N
Molecular Formula C6F5I
2

Pentafluoroiodobenzene (stabilized with Copper chip) 99.0+%, TCI America™
SDP

CAS: 827-15-6 Molecular Formula: C6F5I Molecular Weight (g/mol): 293.962 MDL Number: MFCD00001032 InChI Key: OPYHNLNYCRZOGY-UHFFFAOYSA-N Synonym: iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982 PubChem CID: 70008 IUPAC Name: 1,2,3,4,5-pentafluoro-6-iodobenzene SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F

PubChem CID 70008
CAS 827-15-6
Molecular Weight (g/mol) 293.962
MDL Number MFCD00001032
SMILES C1(=C(C(=C(C(=C1F)F)I)F)F)F
Synonym iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982
IUPAC Name 1,2,3,4,5-pentafluoro-6-iodobenzene
InChI Key OPYHNLNYCRZOGY-UHFFFAOYSA-N
Molecular Formula C6F5I
3

1-Fluoro-2-iodobenzene, 99%, stab. with copper, Thermo Scientific Chemicals

CAS: 348-52-7 Molecular Formula: C6H4FI Molecular Weight (g/mol): 222.00 MDL Number: MFCD00001031 InChI Key: TYHUGKGZNOULKD-UHFFFAOYSA-N Synonym: 2-fluoroiodobenzene,o-fluoroiodobenzene,o-iodofluorobenzene,benzene, 1-fluoro-2-iodo,2-iodofluorobenzene,3-fluoro-2-iodobenzene,1-fluoro-2-iodo-benzene,2-fluoro-iodobenzene,2-fluoro-1-iodobenzene PubChem CID: 67673 IUPAC Name: 1-fluoro-2-iodobenzene SMILES: FC1=CC=CC=C1I

PubChem CID 67673
CAS 348-52-7
Molecular Weight (g/mol) 222.00
MDL Number MFCD00001031
SMILES FC1=CC=CC=C1I
Synonym 2-fluoroiodobenzene,o-fluoroiodobenzene,o-iodofluorobenzene,benzene, 1-fluoro-2-iodo,2-iodofluorobenzene,3-fluoro-2-iodobenzene,1-fluoro-2-iodo-benzene,2-fluoro-iodobenzene,2-fluoro-1-iodobenzene
IUPAC Name 1-fluoro-2-iodobenzene
InChI Key TYHUGKGZNOULKD-UHFFFAOYSA-N
Molecular Formula C6H4FI
4

1-Bromo-2-iodobenzene, 98+%, stab. with copper, Thermo Scientific Chemicals

CAS: 583-55-1 Molecular Formula: C6H4BrI Molecular Weight (g/mol): 282.906 MDL Number: MFCD00001030 InChI Key: OIRHKGBNGGSCGS-UHFFFAOYSA-N Synonym: 2-bromoiodobenzene,o-bromoiodobenzene,2-bromo-iodobenzene,benzene, 1-bromo-2-iodo,bromoiodobenzene,1-bromo-2-iodo-benzene,attercop-chm at127403,chemwish ic03500,iodobromobenzene,2-iodobromobenzene PubChem CID: 11415 IUPAC Name: 1-bromo-2-iodobenzene SMILES: C1=CC=C(C(=C1)Br)I

PubChem CID 11415
CAS 583-55-1
Molecular Weight (g/mol) 282.906
MDL Number MFCD00001030
SMILES C1=CC=C(C(=C1)Br)I
Synonym 2-bromoiodobenzene,o-bromoiodobenzene,2-bromo-iodobenzene,benzene, 1-bromo-2-iodo,bromoiodobenzene,1-bromo-2-iodo-benzene,attercop-chm at127403,chemwish ic03500,iodobromobenzene,2-iodobromobenzene
IUPAC Name 1-bromo-2-iodobenzene
InChI Key OIRHKGBNGGSCGS-UHFFFAOYSA-N
Molecular Formula C6H4BrI
5

2-Iodotoluene (stabilized with Copper chip) 98.0+%, TCI America™
SDP

CAS: 615-37-2 Molecular Formula: C7H7I Molecular Weight (g/mol): 218.037 MDL Number: MFCD00001042 InChI Key: RINOYHWVBUKAQE-UHFFFAOYSA-N Synonym: 2-iodotoluene,o-iodotoluene,o-tolyl iodide,benzene, 1-iodo-2-methyl,o-methyliodobenzene,toluene, o-iodo,iodotoluene,ortho-iodotoluene,2-methyliodobenzene,unii-8ok4h85t07 PubChem CID: 5128 ChEBI: CHEBI:39813 IUPAC Name: 1-iodo-2-methylbenzene SMILES: CC1=CC=CC=C1I

PubChem CID 5128
CAS 615-37-2
Molecular Weight (g/mol) 218.037
ChEBI CHEBI:39813
MDL Number MFCD00001042
SMILES CC1=CC=CC=C1I
Synonym 2-iodotoluene,o-iodotoluene,o-tolyl iodide,benzene, 1-iodo-2-methyl,o-methyliodobenzene,toluene, o-iodo,iodotoluene,ortho-iodotoluene,2-methyliodobenzene,unii-8ok4h85t07
IUPAC Name 1-iodo-2-methylbenzene
InChI Key RINOYHWVBUKAQE-UHFFFAOYSA-N
Molecular Formula C7H7I
6

1,2-Diiodobenzene (stabilized with Copper chip) 98.0+%, TCI America™
SDP

CAS: 615-42-9 Molecular Formula: C6H4I2 Molecular Weight (g/mol): 329.91 MDL Number: MFCD00001038 InChI Key: BBOLNFYSRZVALD-UHFFFAOYSA-N Synonym: o-diiodobenzene,benzene, 1,2-diiodo,benzene, o-diiodo,diiodobenzene,benzene, diiodo,benzene,2-diiodo,pubchem3831,1,2-diiodobenzene PubChem CID: 11994 IUPAC Name: 1,2-diiodobenzene SMILES: IC1=CC=CC=C1I

PubChem CID 11994
CAS 615-42-9
Molecular Weight (g/mol) 329.91
MDL Number MFCD00001038
SMILES IC1=CC=CC=C1I
Synonym o-diiodobenzene,benzene, 1,2-diiodo,benzene, o-diiodo,diiodobenzene,benzene, diiodo,benzene,2-diiodo,pubchem3831,1,2-diiodobenzene
IUPAC Name 1,2-diiodobenzene
InChI Key BBOLNFYSRZVALD-UHFFFAOYSA-N
Molecular Formula C6H4I2
7

(Trifluoromethyl)tris(triphenylphosphine)copper(I) 98.0+%, TCI America™
SDP

CAS: 325810-07-9 Molecular Formula: C55H45CuF3P3 Molecular Weight (g/mol): 919.427 InChI Key: ADEZRALRKPUAPZ-UHFFFAOYSA-N Synonym: Tris(triphenylphosphine)(trifluoromethyl)copper(I) PubChem CID: 85433410 IUPAC Name: copper(1+);trifluoromethane;triphenylphosphane SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-](F)(F)F.[Cu+]

PubChem CID 85433410
CAS 325810-07-9
Molecular Weight (g/mol) 919.427
SMILES C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-](F)(F)F.[Cu+]
Synonym Tris(triphenylphosphine)(trifluoromethyl)copper(I)
IUPAC Name copper(1+);trifluoromethane;triphenylphosphane
InChI Key ADEZRALRKPUAPZ-UHFFFAOYSA-N
Molecular Formula C55H45CuF3P3
8

4-Iodobenzotrifluoride (stabilized with Copper chip) 97.0+%, TCI America™
SDP

CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I

PubChem CID 67993
CAS 455-13-0
Molecular Weight (g/mol) 272.009
MDL Number MFCD00039398
SMILES C1=CC(=CC=C1C(F)(F)F)I
Synonym 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene
IUPAC Name 1-iodo-4-(trifluoromethyl)benzene
InChI Key SKGRFPGOGCHDPC-UHFFFAOYSA-N
Molecular Formula C7H4F3I
9

(1,10-Phenanthroline)(trifluoromethyl)(triphenylphosphine)copper(I) 95.0+%, TCI America™
SDP

CAS: 1334890-93-5 Molecular Formula: C31H23CuF3N2P Molecular Weight (g/mol): 575.05 MDL Number: MFCD28386111 InChI Key: AKGOGTMOALVICI-UHFFFAOYSA-N PubChem CID: 88921701 IUPAC Name: λ¹-copper(1+) 1,10-phenanthroline trifluoromethanide triphenylphosphane SMILES: [Cu+].F[C-](F)F.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 88921701
CAS 1334890-93-5
Molecular Weight (g/mol) 575.05
MDL Number MFCD28386111
SMILES [Cu+].F[C-](F)F.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name λ¹-copper(1+) 1,10-phenanthroline trifluoromethanide triphenylphosphane
InChI Key AKGOGTMOALVICI-UHFFFAOYSA-N
Molecular Formula C31H23CuF3N2P
10

Bis(triphenylphosphine)copper Tetrahydroborate 90.0+%, TCI America™
SDP

CAS: 16903-61-0 Molecular Formula: C36H34BCuP2 Molecular Weight (g/mol): 602.97 MDL Number: MFCD00013219 InChI Key: YVXRFTLDBYUBGJ-UHFFFAOYSA-N Synonym: bis triphenylphosphine copper tetrahydroborate,bis triphenylphosphine copper i borohydride,bis-triphenylphosphino-cuprous borohydride,tetrahydridoboratobis triphenylphosphine copper i,bis triphenylphosphine copper i tetrahydridoborate,bis triphenylphosphine copper tetrahydroborate,? pph3 2cubh4 PubChem CID: 10908163 IUPAC Name: λ¹-copper(1+) bis(triphenylphosphane) boranuide SMILES: [BH4-].[Cu+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 10908163
CAS 16903-61-0
Molecular Weight (g/mol) 602.97
MDL Number MFCD00013219
SMILES [BH4-].[Cu+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym bis triphenylphosphine copper tetrahydroborate,bis triphenylphosphine copper i borohydride,bis-triphenylphosphino-cuprous borohydride,tetrahydridoboratobis triphenylphosphine copper i,bis triphenylphosphine copper i tetrahydridoborate,bis triphenylphosphine copper tetrahydroborate,? pph3 2cubh4
IUPAC Name λ¹-copper(1+) bis(triphenylphosphane) boranuide
InChI Key YVXRFTLDBYUBGJ-UHFFFAOYSA-N
Molecular Formula C36H34BCuP2
11

4-Bromo-2-ethyl-1-iodobenzene, 97%, stab. with copper, Thermo Scientific Chemicals

CAS: 175278-30-5 Molecular Formula: C8H8BrI Molecular Weight (g/mol): 310.96 MDL Number: MFCD00221458 InChI Key: JWKQXPHYKRQLEJ-UHFFFAOYSA-N PubChem CID: 2761396 IUPAC Name: 4-bromo-2-ethyl-1-iodobenzene SMILES: CCC1=C(C=CC(=C1)Br)I

PubChem CID 2761396
CAS 175278-30-5
Molecular Weight (g/mol) 310.96
MDL Number MFCD00221458
SMILES CCC1=C(C=CC(=C1)Br)I
IUPAC Name 4-bromo-2-ethyl-1-iodobenzene
InChI Key JWKQXPHYKRQLEJ-UHFFFAOYSA-N
Molecular Formula C8H8BrI
12

1-Bromo-4-heptylbenzene (stabilized with Copper chip) 96.0+%, TCI America™
SDP

CAS: 76287-49-5 Molecular Formula: C13H19Br Molecular Weight (g/mol): 255.199 MDL Number: MFCD00061115 InChI Key: YHKMTIJHJWYYAG-UHFFFAOYSA-N Synonym: 1-bromo-4-n-heptylbenzene,1-4-bromophenyl heptane,4-heptylbromobenzene,benzene, 1-bromo-4-heptyl,4-bromo-1-heptylbenzene,1-bromo-4-heptyl-benzene,acmc-209p2u,1-bromanyl-4-heptyl-benzene,ksc912e9b PubChem CID: 2775100 IUPAC Name: 1-bromo-4-heptylbenzene SMILES: CCCCCCCC1=CC=C(C=C1)Br

PubChem CID 2775100
CAS 76287-49-5
Molecular Weight (g/mol) 255.199
MDL Number MFCD00061115
SMILES CCCCCCCC1=CC=C(C=C1)Br
Synonym 1-bromo-4-n-heptylbenzene,1-4-bromophenyl heptane,4-heptylbromobenzene,benzene, 1-bromo-4-heptyl,4-bromo-1-heptylbenzene,1-bromo-4-heptyl-benzene,acmc-209p2u,1-bromanyl-4-heptyl-benzene,ksc912e9b
IUPAC Name 1-bromo-4-heptylbenzene
InChI Key YHKMTIJHJWYYAG-UHFFFAOYSA-N
Molecular Formula C13H19Br
13

3-Chloro-4-iodobenzotrifluoride (stabilized with Copper chip) 97.0+%, TCI America™
SDP

CAS: 141738-80-9 Molecular Formula: C7H3ClF3I Molecular Weight (g/mol): 306.45 MDL Number: MFCD00042562 InChI Key: ULJRBVGSKAKZKQ-UHFFFAOYSA-N Synonym: 3-chloro-4-iodobenzotrifluoride,2-chloro-1-iodo-4-trifluoromethyl benzene,2-chloro-4-trifluoromethyl iodobenzene,benzene, 2-chloro-1-iodo-4-trifluoromethyl,pubchem1973,acmc-209cms,buttpark 9857-21,2-chloro-4-trifluoromethyliodobenzene PubChem CID: 2736612 IUPAC Name: 2-chloro-1-iodo-4-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=C(I)C(Cl)=C1

PubChem CID 2736612
CAS 141738-80-9
Molecular Weight (g/mol) 306.45
MDL Number MFCD00042562
SMILES FC(F)(F)C1=CC=C(I)C(Cl)=C1
Synonym 3-chloro-4-iodobenzotrifluoride,2-chloro-1-iodo-4-trifluoromethyl benzene,2-chloro-4-trifluoromethyl iodobenzene,benzene, 2-chloro-1-iodo-4-trifluoromethyl,pubchem1973,acmc-209cms,buttpark 9857-21,2-chloro-4-trifluoromethyliodobenzene
IUPAC Name 2-chloro-1-iodo-4-(trifluoromethyl)benzene
InChI Key ULJRBVGSKAKZKQ-UHFFFAOYSA-N
Molecular Formula C7H3ClF3I
14

1-Chloro-3-iodobenzene (stabilized with Copper chip) 97.0+%, TCI America™
SDP

CAS: 625-99-0 Molecular Formula: C6H4ClI Molecular Weight (g/mol): 238.45 MDL Number: MFCD00001046 InChI Key: JMLWXCJXOYDXRN-UHFFFAOYSA-N Synonym: 3-chloroiodobenzene,m-chloroiodobenzene,benzene, 1-chloro-3-iodo,3-iodochlorobenzene,3-chloro-1-iodobenzene,1-chloro-3-iodo-benzene,m-chlorophenyl iodide,m-iodochlorobenzene,metachloroiodobenzene,3-chloro-iodobenzene PubChem CID: 12269 IUPAC Name: 1-chloro-3-iodobenzene SMILES: ClC1=CC=CC(I)=C1

PubChem CID 12269
CAS 625-99-0
Molecular Weight (g/mol) 238.45
MDL Number MFCD00001046
SMILES ClC1=CC=CC(I)=C1
Synonym 3-chloroiodobenzene,m-chloroiodobenzene,benzene, 1-chloro-3-iodo,3-iodochlorobenzene,3-chloro-1-iodobenzene,1-chloro-3-iodo-benzene,m-chlorophenyl iodide,m-iodochlorobenzene,metachloroiodobenzene,3-chloro-iodobenzene
IUPAC Name 1-chloro-3-iodobenzene
InChI Key JMLWXCJXOYDXRN-UHFFFAOYSA-N
Molecular Formula C6H4ClI
15

1-Bromo-3-iodobenzene (stabilized with Copper chip) 97.0+%, TCI America™
SDP

CAS: 591-18-4 Molecular Formula: C6H4BrI Molecular Weight (g/mol): 282.91 MDL Number: MFCD00001043 InChI Key: CTPUUDQIXKUAMO-UHFFFAOYSA-N Synonym: 3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene PubChem CID: 11561 IUPAC Name: 1-bromo-3-iodobenzene SMILES: BrC1=CC=CC(I)=C1

PubChem CID 11561
CAS 591-18-4
Molecular Weight (g/mol) 282.91
MDL Number MFCD00001043
SMILES BrC1=CC=CC(I)=C1
Synonym 3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene
IUPAC Name 1-bromo-3-iodobenzene
InChI Key CTPUUDQIXKUAMO-UHFFFAOYSA-N
Molecular Formula C6H4BrI