Aromatic hydrocarbons

Organic compounds made up entirely of hydrogen and carbon elements usually organized in a chain, and have an aromatic (aryl) functional group.

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Bis(cyclopentadienyl)titanium dichloride, 97%

CAS: 1271-19-8 Molecular Formula: C10H10Cl2Ti-2 Molecular Weight (g/mol): 248.957 MDL Number: MFCD00003723 InChI Key: MKNXBRLZBFVUPV-UHFFFAOYSA-L Synonym: Dichlorobis(cyclopentadienyl)titanium; Titanocene dichloride PubChem CID: 124040768 IUPAC Name: cyclopenta-1,3-diene;titanium(2+);dichloride SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+2]

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PubChem CID	124040768
CAS	1271-19-8
Molecular Weight (g/mol)	248.957
MDL Number	MFCD00003723
SMILES	[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+2]
Synonym	Dichlorobis(cyclopentadienyl)titanium; Titanocene dichloride
IUPAC Name	cyclopenta-1,3-diene;titanium(2+);dichloride
InChI Key	MKNXBRLZBFVUPV-UHFFFAOYSA-L
Molecular Formula	C10H10Cl2Ti-2

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Hexaphenylbenzene, 98+%

CAS: 992-04-1 Molecular Formula: C42H30 Molecular Weight (g/mol): 534.702 MDL Number: MFCD00003057 InChI Key: QBHWPVJPWQGYDS-UHFFFAOYSA-N Synonym: hexaphenylbenzene,benzene, hexaphenyl,3',4',5',6'-tetraphenyl-o-terphenyl,acmc-20akri,m-terphenyl, 2',4',5',6'-tetraphenyl,ghl.pd_mitscher_leg0.890,hexaphenylbenzene 1g,1,1':2',1-terphenyl, 3',4',5',6'-tetraphenyl,1,2,3,4,5,6-hexaphenylbenzene PubChem CID: 70432 IUPAC Name: 1,2,3,4,5,6-hexakis-phenylbenzene SMILES: C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

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PubChem CID	70432
CAS	992-04-1
Molecular Weight (g/mol)	534.702
MDL Number	MFCD00003057
SMILES	C1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
Synonym	hexaphenylbenzene,benzene, hexaphenyl,3',4',5',6'-tetraphenyl-o-terphenyl,acmc-20akri,m-terphenyl, 2',4',5',6'-tetraphenyl,ghl.pd_mitscher_leg0.890,hexaphenylbenzene 1g,1,1':2',1-terphenyl, 3',4',5',6'-tetraphenyl,1,2,3,4,5,6-hexaphenylbenzene
IUPAC Name	1,2,3,4,5,6-hexakis-phenylbenzene
InChI Key	QBHWPVJPWQGYDS-UHFFFAOYSA-N
Molecular Formula	C42H30

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2-Methylbiphenyl, 98%

CAS: 643-58-3 Molecular Formula: C13H12 Molecular Weight (g/mol): 168.239 MDL Number: MFCD00008517 InChI Key: ALLIZEAXNXSFGD-UHFFFAOYSA-N Synonym: 2-methylbiphenyl,2-methyl-1,1'-biphenyl,2-phenyltoluene,2-methyl biphenyl,o-phenyltoluene,o-methylbiphenyl,2-methyl-biphenyl,1,1'-biphenyl, 2-methyl,biphenyl, 2-methyl,unii-x937mq8s1t PubChem CID: 12563 IUPAC Name: 1-methyl-2-phenylbenzene SMILES: CC1=CC=CC=C1C2=CC=CC=C2

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Specifications

PubChem CID	12563
CAS	643-58-3
Molecular Weight (g/mol)	168.239
MDL Number	MFCD00008517
SMILES	CC1=CC=CC=C1C2=CC=CC=C2
Synonym	2-methylbiphenyl,2-methyl-1,1'-biphenyl,2-phenyltoluene,2-methyl biphenyl,o-phenyltoluene,o-methylbiphenyl,2-methyl-biphenyl,1,1'-biphenyl, 2-methyl,biphenyl, 2-methyl,unii-x937mq8s1t
IUPAC Name	1-methyl-2-phenylbenzene
InChI Key	ALLIZEAXNXSFGD-UHFFFAOYSA-N
Molecular Formula	C13H12

Dichloro(pentamethylcyclopentadienyl)iridium(III) dimer

CAS: 12354-84-6 Molecular Formula: C20H30Cl4Ir2 Molecular Weight (g/mol): 796.694 MDL Number: MFCD00075435 InChI Key: MMAGMBCAIFVRGJ-UHFFFAOYSA-J Synonym: unii-6oy4uuc534,dichloro pentamethylcyclopentadienyl iridium iii dimer,pentamethylcyclopentadienyl iridium iii dichloride dimer,pentamethylcyclopentadienyliridium dichloride,pentamethylcyclopentadienyl iridium dichloride dimer,pentamethylcyclopentadienyliridium iii dichloride dimer,eta5-pentamethylcyclopentadienyl iridium dichloride dimer,pentamethylcyclopentadienyliridium iii dichloride dimer mi,bis mu-chloro chloro eta5-pentamethylcyclopentadienyl iridium,iridium, di-mu-chlorodichlorobis 1,2,3,4,5-eta-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl di PubChem CID: 76030743 IUPAC Name: iridium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tetrachloride SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3].[Ir+3]

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PubChem CID	76030743
CAS	12354-84-6
Molecular Weight (g/mol)	796.694
MDL Number	MFCD00075435
SMILES	C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Ir+3].[Ir+3]
Synonym	unii-6oy4uuc534,dichloro pentamethylcyclopentadienyl iridium iii dimer,pentamethylcyclopentadienyl iridium iii dichloride dimer,pentamethylcyclopentadienyliridium dichloride,pentamethylcyclopentadienyl iridium dichloride dimer,pentamethylcyclopentadienyliridium iii dichloride dimer,eta5-pentamethylcyclopentadienyl iridium dichloride dimer,pentamethylcyclopentadienyliridium iii dichloride dimer mi,bis mu-chloro chloro eta5-pentamethylcyclopentadienyl iridium,iridium, di-mu-chlorodichlorobis 1,2,3,4,5-eta-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl di
IUPAC Name	iridium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tetrachloride
InChI Key	MMAGMBCAIFVRGJ-UHFFFAOYSA-J
Molecular Formula	C20H30Cl4Ir2

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1,2-Diphenylethane, 98+%

CAS: 103-29-7 Molecular Formula: C14H14 Molecular Weight (g/mol): 182.27 MDL Number: MFCD00004796 InChI Key: QWUWMCYKGHVNAV-UHFFFAOYSA-N Synonym: 1,2-diphenylethane,bibenzyl,dibenzyl,s-diphenylethane,2-phenylethyl benzene,1,2-dihydrostilbene,dibenzil,sym-diphenylethane,dihydrostilbene,benzene, 1,1'-1,2-ethanediyl bis PubChem CID: 7647 ChEBI: CHEBI:34047 IUPAC Name: 2-phenylethylbenzene SMILES: C(CC1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	7647
CAS	103-29-7
Molecular Weight (g/mol)	182.27
ChEBI	CHEBI:34047
MDL Number	MFCD00004796
SMILES	C(CC1=CC=CC=C1)C1=CC=CC=C1
Synonym	1,2-diphenylethane,bibenzyl,dibenzyl,s-diphenylethane,2-phenylethyl benzene,1,2-dihydrostilbene,dibenzil,sym-diphenylethane,dihydrostilbene,benzene, 1,1'-1,2-ethanediyl bis
IUPAC Name	2-phenylethylbenzene
InChI Key	QWUWMCYKGHVNAV-UHFFFAOYSA-N
Molecular Formula	C14H14

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Tetraphenylmethane, 96%

CAS: 630-76-2 Molecular Formula: C25H20 Molecular Weight (g/mol): 320.435 MDL Number: MFCD00014428 InChI Key: PEQHIRFAKIASBK-UHFFFAOYSA-N Synonym: tetraphenylmethane,methane, tetraphenyl,tetraphenyl methane,benzene, 1,1',1,1'-methanetetrayltetrakis,triphenylmethyl benzene,benzene, 1,1',1,1'-methanethetrayltetrakis,acmc-20ajiz,pubchem10677 PubChem CID: 12424 IUPAC Name: tritylbenzene SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

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Specifications

PubChem CID	12424
CAS	630-76-2
Molecular Weight (g/mol)	320.435
MDL Number	MFCD00014428
SMILES	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Synonym	tetraphenylmethane,methane, tetraphenyl,tetraphenyl methane,benzene, 1,1',1,1'-methanetetrayltetrakis,triphenylmethyl benzene,benzene, 1,1',1,1'-methanethetrayltetrakis,acmc-20ajiz,pubchem10677
IUPAC Name	tritylbenzene
InChI Key	PEQHIRFAKIASBK-UHFFFAOYSA-N
Molecular Formula	C25H20

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1,2-Diethylbenzene, 97%

CAS: 135-01-3 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00009258 InChI Key: KVNYFPKFSJIPBJ-UHFFFAOYSA-N Synonym: o-diethylbenzene,benzene, 1,2-diethyl,benzene, diethyl,benzene, o-diethyl,diethylbenzol,unii-25hox6t1lu,25hox6t1lu,diethylbenzenes mixed isomer,dsstox_cid_7866,dsstox_rid_78595 PubChem CID: 8657 IUPAC Name: 1,2-diethylbenzene SMILES: CCC1=CC=CC=C1CC

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PubChem CID	8657
CAS	135-01-3
Molecular Weight (g/mol)	134.222
MDL Number	MFCD00009258
SMILES	CCC1=CC=CC=C1CC
Synonym	o-diethylbenzene,benzene, 1,2-diethyl,benzene, diethyl,benzene, o-diethyl,diethylbenzol,unii-25hox6t1lu,25hox6t1lu,diethylbenzenes mixed isomer,dsstox_cid_7866,dsstox_rid_78595
IUPAC Name	1,2-diethylbenzene
InChI Key	KVNYFPKFSJIPBJ-UHFFFAOYSA-N
Molecular Formula	C10H14

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3-Ethyltoluene, 97%

CAS: 620-14-4 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.20 MDL Number: MFCD00009259 InChI Key: ZLCSFXXPPANWQY-UHFFFAOYSA-N Synonym: 3-ethyltoluene,m-ethyltoluene,1-methyl-3-ethylbenzene,benzene, 1-ethyl-3-methyl,m-ethylmethylbenzene,m-methylethylbenzene,toluene, m-ethyl,3-methylethylbenzene,1-ethyl-3-methyl-benzene,unii-737ptd7o7e PubChem CID: 12100 ChEBI: CHEBI:77512 IUPAC Name: 1-ethyl-3-methylbenzene SMILES: CCC1=CC=CC(C)=C1

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PubChem CID	12100
CAS	620-14-4
Molecular Weight (g/mol)	120.20
ChEBI	CHEBI:77512
MDL Number	MFCD00009259
SMILES	CCC1=CC=CC(C)=C1
Synonym	3-ethyltoluene,m-ethyltoluene,1-methyl-3-ethylbenzene,benzene, 1-ethyl-3-methyl,m-ethylmethylbenzene,m-methylethylbenzene,toluene, m-ethyl,3-methylethylbenzene,1-ethyl-3-methyl-benzene,unii-737ptd7o7e
IUPAC Name	1-ethyl-3-methylbenzene
InChI Key	ZLCSFXXPPANWQY-UHFFFAOYSA-N
Molecular Formula	C9H12

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n-Heptylbenzene, 98%

CAS: 1078-71-3 Molecular Formula: C13H20 Molecular Weight (g/mol): 176.303 MDL Number: MFCD00009545 InChI Key: LBNXAWYDQUGHGX-UHFFFAOYSA-N Synonym: 1-phenylheptane,benzene, heptyl,n-heptylbenzene,heptane, 1-phenyl,heptane, 1 or 7-phenyl,unii-12uc21c7sn,phenylheptane,heptyl-benzene,heptane, phenyl PubChem CID: 14115 IUPAC Name: heptylbenzene SMILES: CCCCCCCC1=CC=CC=C1

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PubChem CID	14115
CAS	1078-71-3
Molecular Weight (g/mol)	176.303
MDL Number	MFCD00009545
SMILES	CCCCCCCC1=CC=CC=C1
Synonym	1-phenylheptane,benzene, heptyl,n-heptylbenzene,heptane, 1-phenyl,heptane, 1 or 7-phenyl,unii-12uc21c7sn,phenylheptane,heptyl-benzene,heptane, phenyl
IUPAC Name	heptylbenzene
InChI Key	LBNXAWYDQUGHGX-UHFFFAOYSA-N
Molecular Formula	C13H20

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1,4-Di-n-butylbenzene, 97+%

CAS: 1571-86-4 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD01076591 InChI Key: VGQOZYOOFXEGDA-UHFFFAOYSA-N Synonym: 1,4-di-n-butylbenzene,benzene, 1,4-dibutyl,p-dibutylbenzol,p-dibutylbenzene,acmc-209dfm,p-di-tert-butyl benzene PubChem CID: 519170 IUPAC Name: 1,4-dibutylbenzene SMILES: CCCCC1=CC=C(CCCC)C=C1

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PubChem CID	519170
CAS	1571-86-4
Molecular Weight (g/mol)	190.33
MDL Number	MFCD01076591
SMILES	CCCCC1=CC=C(CCCC)C=C1
Synonym	1,4-di-n-butylbenzene,benzene, 1,4-dibutyl,p-dibutylbenzol,p-dibutylbenzene,acmc-209dfm,p-di-tert-butyl benzene
IUPAC Name	1,4-dibutylbenzene
InChI Key	VGQOZYOOFXEGDA-UHFFFAOYSA-N
Molecular Formula	C14H22

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Cyclohexylbenzene, 98%

CAS: 827-52-1 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00001451 InChI Key: IGARGHRYKHJQSM-UHFFFAOYSA-N Synonym: phenylcyclohexane,benzene, cyclohexyl,cyclohexane, phenyl,cyclohexyl-benzene,cyclohexyl benzene,4-cyclohexylbenzene,santosol 360,phenyl cyclohexane,1,1'-biphenyl, 1,2,3,4,5,6-hexahydro,wln: l6tj ar PubChem CID: 13229 IUPAC Name: cyclohexylbenzene SMILES: C1CCC(CC1)C1=CC=CC=C1

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Specifications

PubChem CID	13229
CAS	827-52-1
Molecular Weight (g/mol)	160.26
MDL Number	MFCD00001451
SMILES	C1CCC(CC1)C1=CC=CC=C1
Synonym	phenylcyclohexane,benzene, cyclohexyl,cyclohexane, phenyl,cyclohexyl-benzene,cyclohexyl benzene,4-cyclohexylbenzene,santosol 360,phenyl cyclohexane,1,1'-biphenyl, 1,2,3,4,5,6-hexahydro,wln: l6tj ar
IUPAC Name	cyclohexylbenzene
InChI Key	IGARGHRYKHJQSM-UHFFFAOYSA-N
Molecular Formula	C12H16

1,3-Diethylbenzene, 97+%

CAS: 141-93-5 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00009260 InChI Key: AFZZYIJIWUTJFO-UHFFFAOYSA-N Synonym: m-diethylbenzene,benzene, 1,3-diethyl,benzene, m-diethyl,m-ethylethylbenzene,unii-zm2x7i1g8y,zm2x7i1g8y,ethylated benzene,benzene, ethylated,meta-diethylbenzene,polyethylated benzene PubChem CID: 8864 IUPAC Name: 1,3-diethylbenzene SMILES: CCC1=CC(=CC=C1)CC

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PubChem CID	8864
CAS	141-93-5
Molecular Weight (g/mol)	134.222
MDL Number	MFCD00009260
SMILES	CCC1=CC(=CC=C1)CC
Synonym	m-diethylbenzene,benzene, 1,3-diethyl,benzene, m-diethyl,m-ethylethylbenzene,unii-zm2x7i1g8y,zm2x7i1g8y,ethylated benzene,benzene, ethylated,meta-diethylbenzene,polyethylated benzene
IUPAC Name	1,3-diethylbenzene
InChI Key	AFZZYIJIWUTJFO-UHFFFAOYSA-N
Molecular Formula	C10H14

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2-Phenylindene, Thermo Scientific Chemicals

CAS: 4505-48-0 Molecular Formula: C15H12 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00239514 InChI Key: BSBXLZYWGGAVHD-UHFFFAOYSA-N IUPAC Name: 2-phenyl-1H-indene SMILES: C1C2=CC=CC=C2C=C1C1=CC=CC=C1

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CAS	4505-48-0
Molecular Weight (g/mol)	192.26
MDL Number	MFCD00239514
SMILES	C1C2=CC=CC=C2C=C1C1=CC=CC=C1
IUPAC Name	2-phenyl-1H-indene
InChI Key	BSBXLZYWGGAVHD-UHFFFAOYSA-N
Molecular Formula	C15H12

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n-Octylbenzene, 99%

CAS: 2189-60-8 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00009564 InChI Key: CDKDZKXSXLNROY-UHFFFAOYSA-N Synonym: n-octylbenzene,1-phenyloctane,benzene, octyl,phenyloctane,octane, 1-phenyl,octyl-benzene,1-octylbenzene,octyl benzene,4-octylbenzene,acmc-1cplg PubChem CID: 16607 IUPAC Name: octylbenzene SMILES: CCCCCCCCC1=CC=CC=C1

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PubChem CID	16607
CAS	2189-60-8
Molecular Weight (g/mol)	190.33
MDL Number	MFCD00009564
SMILES	CCCCCCCCC1=CC=CC=C1
Synonym	n-octylbenzene,1-phenyloctane,benzene, octyl,phenyloctane,octane, 1-phenyl,octyl-benzene,1-octylbenzene,octyl benzene,4-octylbenzene,acmc-1cplg
IUPAC Name	octylbenzene
InChI Key	CDKDZKXSXLNROY-UHFFFAOYSA-N
Molecular Formula	C14H22

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1,3,5-Triethylbenzene, 95%

CAS: 102-25-0 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.28 MDL Number: MFCD00009261 InChI Key: WJYMPXJVHNDZHD-UHFFFAOYSA-N Synonym: benzene, 1,3,5-triethyl,unii-02k328wwzq,1,5-triethylbenzene,pubchem19794,benzene,3,5-triethyl,1,3,5-triethyl benzene,ksc493q9l,wjympxjvhndzhd-uhfffaoysa,1,3,5-triethylbenzene,1,3,5-triethylbenzene, technical grade PubChem CID: 7602 IUPAC Name: 1,3,5-triethylbenzene SMILES: CCC1=CC(CC)=CC(CC)=C1

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Specifications

PubChem CID	7602
CAS	102-25-0
Molecular Weight (g/mol)	162.28
MDL Number	MFCD00009261
SMILES	CCC1=CC(CC)=CC(CC)=C1
Synonym	benzene, 1,3,5-triethyl,unii-02k328wwzq,1,5-triethylbenzene,pubchem19794,benzene,3,5-triethyl,1,3,5-triethyl benzene,ksc493q9l,wjympxjvhndzhd-uhfffaoysa,1,3,5-triethylbenzene,1,3,5-triethylbenzene, technical grade
IUPAC Name	1,3,5-triethylbenzene
InChI Key	WJYMPXJVHNDZHD-UHFFFAOYSA-N
Molecular Formula	C12H18

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