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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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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Pentamethylbenzene, 99%

CAS: 700-12-9 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00008522 InChI Key: BEZDDPMMPIDMGJ-UHFFFAOYSA-N Synonym: pentamethylbenzene,benzene, pentamethyl,pentamethylbenzol,benzene, 1,2,3,4,5-pentamethyl,pentamethyl phenyl,acmc-1bkt8,ksc492e3d,1,3,4,5-pentamethylbenzene,pentamethylbenzene 5g PubChem CID: 12784 ChEBI: CHEBI:38998 IUPAC Name: 1,2,3,4,5-pentamethylbenzene SMILES: CC1=CC(=C(C(=C1C)C)C)C

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PubChem CID	12784
CAS	700-12-9
Molecular Weight (g/mol)	148.249
ChEBI	CHEBI:38998
MDL Number	MFCD00008522
SMILES	CC1=CC(=C(C(=C1C)C)C)C
Synonym	pentamethylbenzene,benzene, pentamethyl,pentamethylbenzol,benzene, 1,2,3,4,5-pentamethyl,pentamethyl phenyl,acmc-1bkt8,ksc492e3d,1,3,4,5-pentamethylbenzene,pentamethylbenzene 5g
IUPAC Name	1,2,3,4,5-pentamethylbenzene
InChI Key	BEZDDPMMPIDMGJ-UHFFFAOYSA-N
Molecular Formula	C11H16

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Octadecylbenzene, 98%

CAS: 4445-07-2 Molecular Formula: C₂₄H₄₂ Molecular Weight (g/mol): 330.59 MDL Number: MFCD00048500 InChI Key: WSVDSBZMYJJMSB-UHFFFAOYSA-N IUPAC Name: octadecylbenzene SMILES: CCCCCCCCCCCCCCCCCCC1=CC=CC=C1

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Specifications

CAS	4445-07-2
Molecular Weight (g/mol)	330.59
MDL Number	MFCD00048500
SMILES	CCCCCCCCCCCCCCCCCCC1=CC=CC=C1
IUPAC Name	octadecylbenzene
InChI Key	WSVDSBZMYJJMSB-UHFFFAOYSA-N
Molecular Formula	C₂₄H₄₂

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Biphenyl, 99%

CAS: 92-52-4 Molecular Formula: C12H10 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00003054 InChI Key: ZUOUZKKEUPVFJK-UHFFFAOYSA-N Synonym: biphenyl,phenylbenzene,diphenyl,1,1'-diphenyl,bibenzene,lemonene,xenene,phenador-x,tetrosin ly,carolid al PubChem CID: 7095 ChEBI: CHEBI:17097 IUPAC Name: 1,1'-biphenyl SMILES: C1=CC=C(C=C1)C1=CC=CC=C1

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Specifications

PubChem CID	7095
CAS	92-52-4
Molecular Weight (g/mol)	154.21
ChEBI	CHEBI:17097
MDL Number	MFCD00003054
SMILES	C1=CC=C(C=C1)C1=CC=CC=C1
Synonym	biphenyl,phenylbenzene,diphenyl,1,1'-diphenyl,bibenzene,lemonene,xenene,phenador-x,tetrosin ly,carolid al
IUPAC Name	1,1'-biphenyl
InChI Key	ZUOUZKKEUPVFJK-UHFFFAOYSA-N
Molecular Formula	C12H10

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1,4-Diethylbenzene, 98%

CAS: 105-05-5 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00009264 InChI Key: DSNHSQKRULAAEI-UHFFFAOYSA-N Synonym: p-diethylbenzene,benzene, 1,4-diethyl,p-ethylethylbenzene,benzene, p-diethyl,para-diethylbenzene,unii-0psm16x42d,acmc-1bu3z,dsstox_cid_6711,dsstox_rid_78192,dsstox_gsid_26711 PubChem CID: 7734 ChEBI: CHEBI:34062 IUPAC Name: 1,4-diethylbenzene SMILES: CCC1=CC=C(CC)C=C1

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PubChem CID	7734
CAS	105-05-5
Molecular Weight (g/mol)	134.22
ChEBI	CHEBI:34062
MDL Number	MFCD00009264
SMILES	CCC1=CC=C(CC)C=C1
Synonym	p-diethylbenzene,benzene, 1,4-diethyl,p-ethylethylbenzene,benzene, p-diethyl,para-diethylbenzene,unii-0psm16x42d,acmc-1bu3z,dsstox_cid_6711,dsstox_rid_78192,dsstox_gsid_26711
IUPAC Name	1,4-diethylbenzene
InChI Key	DSNHSQKRULAAEI-UHFFFAOYSA-N
Molecular Formula	C10H14

(Pentamethylcyclopentadienyl)iridium(III) Chloride dimer, 99%

CAS: 12354-84-6 Molecular Formula: C₂₀H₃₀Cl₄Ir₂ Molecular Weight (g/mol): 796.73 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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Specifications

PubChem CID	76030743
CAS	12354-84-6
Molecular Weight (g/mol)	796.73
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-Di(p-tolyl)ethane, 98%

CAS: 538-39-6 Molecular Formula: C16H18 Molecular Weight (g/mol): 210.32 MDL Number: MFCD00026025 InChI Key: XCCQFUHBIRHLQT-UHFFFAOYSA-N Synonym: 1,2-di p-tolyl ethane,4,4'-dimethylbibenzyl,1,2-di-p-tolylethane,unii-ua2zyh96ih,bibenzyl, 4,4'-dimethyl,1-methyl-4-2-4-methylphenyl ethyl benzene,ua2zyh96ih,1,2-bis 4-methylphenyl ethane,benzene, 1,1'-1,2-ethanediyl bis 4-methyl PubChem CID: 10854 IUPAC Name: 1-methyl-4-[2-(4-methylphenyl)ethyl]benzene SMILES: CC1=CC=C(C=C1)CCC2=CC=C(C=C2)C

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Specifications

PubChem CID	10854
CAS	538-39-6
Molecular Weight (g/mol)	210.32
MDL Number	MFCD00026025
SMILES	CC1=CC=C(C=C1)CCC2=CC=C(C=C2)C
Synonym	1,2-di p-tolyl ethane,4,4'-dimethylbibenzyl,1,2-di-p-tolylethane,unii-ua2zyh96ih,bibenzyl, 4,4'-dimethyl,1-methyl-4-2-4-methylphenyl ethyl benzene,ua2zyh96ih,1,2-bis 4-methylphenyl ethane,benzene, 1,1'-1,2-ethanediyl bis 4-methyl
IUPAC Name	1-methyl-4-[2-(4-methylphenyl)ethyl]benzene
InChI Key	XCCQFUHBIRHLQT-UHFFFAOYSA-N
Molecular Formula	C16H18

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4,4'-Dimethylbiphenyl, 99%

CAS: 613-33-2 Molecular Formula: C14H14 Molecular Weight (g/mol): 182.266 MDL Number: MFCD00008545 InChI Key: RZTDESRVPFKCBH-UHFFFAOYSA-N Synonym: 4,4'-dimethylbiphenyl,4,4'-bitolyl,4,4'-dimethyldiphenyl,bi-p-tolyl,di-p-tolyl,p,p'-bitolyl,4,4'-dimethyl-1,1'-biphenyl,4,4'-ditolyl,1,1'-biphenyl, 4,4'-dimethyl,4,4'-dimethyl-biphenyl PubChem CID: 11941 IUPAC Name: 1-methyl-4-(4-methylphenyl)benzene SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C

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Specifications

PubChem CID	11941
CAS	613-33-2
Molecular Weight (g/mol)	182.266
MDL Number	MFCD00008545
SMILES	CC1=CC=C(C=C1)C2=CC=C(C=C2)C
Synonym	4,4'-dimethylbiphenyl,4,4'-bitolyl,4,4'-dimethyldiphenyl,bi-p-tolyl,di-p-tolyl,p,p'-bitolyl,4,4'-dimethyl-1,1'-biphenyl,4,4'-ditolyl,1,1'-biphenyl, 4,4'-dimethyl,4,4'-dimethyl-biphenyl
IUPAC Name	1-methyl-4-(4-methylphenyl)benzene
InChI Key	RZTDESRVPFKCBH-UHFFFAOYSA-N
Molecular Formula	C14H14

Bis(cyclopentadienyl)titanium dichloride, 99+%

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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n-Butylbenzene, 99+%

CAS: 104-51-8 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00009463 InChI Key: OCKPCBLVNKHBMX-UHFFFAOYSA-N Synonym: n-butylbenzene,1-phenylbutane,benzene, butyl,1-butylbenzene,butyl-benzene,butane, phenyl,unii-s8xz2901rz,butylbenzene, analytical standard,n-butyl benzene,n4b PubChem CID: 7705 ChEBI: CHEBI:44194 IUPAC Name: butylbenzene SMILES: CCCCC1=CC=CC=C1

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PubChem CID	7705
CAS	104-51-8
Molecular Weight (g/mol)	134.22
ChEBI	CHEBI:44194
MDL Number	MFCD00009463
SMILES	CCCCC1=CC=CC=C1
Synonym	n-butylbenzene,1-phenylbutane,benzene, butyl,1-butylbenzene,butyl-benzene,butane, phenyl,unii-s8xz2901rz,butylbenzene, analytical standard,n-butyl benzene,n4b
IUPAC Name	butylbenzene
InChI Key	OCKPCBLVNKHBMX-UHFFFAOYSA-N
Molecular Formula	C10H14

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1,2,4-Trimethylbenzene, 98%

CAS: 95-63-6 MDL Number: MFCD00008527 InChI Key: GWHJZXXIDMPWGX-UHFFFAOYSA-N Synonym: pseudocumene,pseudocumol,psi-cumene,as-trimethylbenzene,1,3,4-trimethylbenzene,benzene, 1,2,4-trimethyl,uns-trimethylbenzene,1,2,5-trimethylbenzene,asymmetrical trimethylbenzene,.psi.-cumene PubChem CID: 7247 ChEBI: CHEBI:34039 IUPAC Name: 1,2,4-trimethylbenzene SMILES: CC1=CC(=C(C=C1)C)C

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Specifications

PubChem CID	7247
CAS	95-63-6
ChEBI	CHEBI:34039
MDL Number	MFCD00008527
SMILES	CC1=CC(=C(C=C1)C)C
Synonym	pseudocumene,pseudocumol,psi-cumene,as-trimethylbenzene,1,3,4-trimethylbenzene,benzene, 1,2,4-trimethyl,uns-trimethylbenzene,1,2,5-trimethylbenzene,asymmetrical trimethylbenzene,.psi.-cumene
IUPAC Name	1,2,4-trimethylbenzene
InChI Key	GWHJZXXIDMPWGX-UHFFFAOYSA-N

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Mesitylene, 97%, pure

CAS: 108-67-8 Molecular Formula: C₉H₁₂ Molecular Weight (g/mol): 120.19 MDL Number: MFCD00008538 InChI Key: AUHZEENZYGFFBQ-UHFFFAOYSA-N Synonym: mesitylene,sym-trimethylbenzene,benzene, 1,3,5-trimethyl,fleet-x,trimethylbenzol,3,5-dimethyltoluene,s-trimethylbenzene,hsdb 92,2,4,6-trimethylbenzene,1,3,5-trimethyl-benzene PubChem CID: 7947 ChEBI: CHEBI:34833 IUPAC Name: 1,3,5-trimethylbenzene SMILES: CC1=CC(=CC(=C1)C)C

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PubChem CID	7947
CAS	108-67-8
Molecular Weight (g/mol)	120.19
ChEBI	CHEBI:34833
MDL Number	MFCD00008538
SMILES	CC1=CC(=CC(=C1)C)C
Synonym	mesitylene,sym-trimethylbenzene,benzene, 1,3,5-trimethyl,fleet-x,trimethylbenzol,3,5-dimethyltoluene,s-trimethylbenzene,hsdb 92,2,4,6-trimethylbenzene,1,3,5-trimethyl-benzene
IUPAC Name	1,3,5-trimethylbenzene
InChI Key	AUHZEENZYGFFBQ-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂

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Hexamethylbenzene, 98+%

CAS: 87-85-4 Molecular Formula: C₁₂H₁₈ Molecular Weight (g/mol): 162.27 MDL Number: MFCD00008523 InChI Key: YUWFEBAXEOLKSG-UHFFFAOYSA-N Synonym: hexamethylbenzene,mellitene,benzene, hexamethyl,hexamethylbenzol,hexamethyl benzene,unii-j8sd5741v8,1,2,3,4,5,6-hexamethyl-benzene,benzene, 1,2,3,4,5,6-hexamethyl,hexamethyl-benzene,hexamethylbenxene; PubChem CID: 6908 ChEBI: CHEBI:39001 IUPAC Name: 1,2,3,4,5,6-hexamethylbenzene SMILES: CC1=C(C(=C(C(=C1C)C)C)C)C

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PubChem CID	6908
CAS	87-85-4
Molecular Weight (g/mol)	162.27
ChEBI	CHEBI:39001
MDL Number	MFCD00008523
SMILES	CC1=C(C(=C(C(=C1C)C)C)C)C
Synonym	hexamethylbenzene,mellitene,benzene, hexamethyl,hexamethylbenzol,hexamethyl benzene,unii-j8sd5741v8,1,2,3,4,5,6-hexamethyl-benzene,benzene, 1,2,3,4,5,6-hexamethyl,hexamethyl-benzene,hexamethylbenxene;
IUPAC Name	1,2,3,4,5,6-hexamethylbenzene
InChI Key	YUWFEBAXEOLKSG-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₈

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Hexamethylbenzene, 99+%

CAS: 87-85-4 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008523 InChI Key: YUWFEBAXEOLKSG-UHFFFAOYSA-N Synonym: hexamethylbenzene,mellitene,benzene, hexamethyl,hexamethylbenzol,hexamethyl benzene,unii-j8sd5741v8,1,2,3,4,5,6-hexamethyl-benzene,benzene, 1,2,3,4,5,6-hexamethyl,hexamethyl-benzene,hexamethylbenxene; PubChem CID: 6908 ChEBI: CHEBI:39001 IUPAC Name: 1,2,3,4,5,6-hexamethylbenzene SMILES: CC1=C(C(=C(C(=C1C)C)C)C)C

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Specifications

PubChem CID	6908
CAS	87-85-4
Molecular Weight (g/mol)	162.276
ChEBI	CHEBI:39001
MDL Number	MFCD00008523
SMILES	CC1=C(C(=C(C(=C1C)C)C)C)C
Synonym	hexamethylbenzene,mellitene,benzene, hexamethyl,hexamethylbenzol,hexamethyl benzene,unii-j8sd5741v8,1,2,3,4,5,6-hexamethyl-benzene,benzene, 1,2,3,4,5,6-hexamethyl,hexamethyl-benzene,hexamethylbenxene;
IUPAC Name	1,2,3,4,5,6-hexamethylbenzene
InChI Key	YUWFEBAXEOLKSG-UHFFFAOYSA-N
Molecular Formula	C12H18

Ethylbenzene, 99.8%, pure

CAS: 100-41-4 MDL Number: MFCD00011647 InChI Key: YNQLUTRBYVCPMQ-UHFFFAOYSA-N Synonym: phenylethane,ethylbenzol,benzene, ethyl,aethylbenzol,ethylenzene,ethyl benzene,ethylbenzeen,etilbenzene,etylobenzen,alpha-methyltoluene PubChem CID: 7500 ChEBI: CHEBI:16101 IUPAC Name: ethylbenzene SMILES: CCC1=CC=CC=C1

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Specifications

PubChem CID	7500
CAS	100-41-4
ChEBI	CHEBI:16101
MDL Number	MFCD00011647
SMILES	CCC1=CC=CC=C1
Synonym	phenylethane,ethylbenzol,benzene, ethyl,aethylbenzol,ethylenzene,ethyl benzene,ethylbenzeen,etilbenzene,etylobenzen,alpha-methyltoluene
IUPAC Name	ethylbenzene
InChI Key	YNQLUTRBYVCPMQ-UHFFFAOYSA-N

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