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Cumenes

Organic compounds that consist of a benzene ring with an isopropyl functional group; isopropyl groups consist of an ethyl chain with a methyl group in the first carbon atom. These compounds are also known as isopropylbenzenes.

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1

Calcium-Sensing Receptor Antagonists I, MedChemExpress

MedChemExpress Calcium-Sensing Receptor Antagonists I is an antagonist of calcium-sensing parathyroid hormone receptors.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 360.45
Color Light Yellow
Physical Form Solid
Chemical Name or Material Calcium-Sensing Receptor Antagonists I
Grade Research
SMILES C#CCOC1=CC2=C(N(C(N=C2C3=CC=C(C(C)C)C=C3)=O)C(C)C)C=C1
Percent Purity 99.91%
CAS 478963-79-0
Solubility Information DMSO : ≥ 100 mg/mL (277.43 mM)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C23H24N2O2
Formula Weight 360.45
2

1-Iodo-4-isopropylbenzene, 97%

CAS: 17356-09-1 Molecular Formula: C9H11I Molecular Weight (g/mol): 246.091 MDL Number: MFCD00013711 InChI Key: PQJOSEVTIKYWLH-UHFFFAOYSA-N Synonym: 1-iodo-4-isopropylbenzene,p-iodocumene,4-iodoisopropylbenzene,2-4'-iodophenyl propane,4-iodocumene,p-iodoisopropylbenzene,1-iodo-4-propan-2-yl benzene,4-isopropyliodobenzene,benzene,1-iodo-4-1-methylethyl,benzene, 1-iodo-4-1-methylethyl PubChem CID: 87073 IUPAC Name: 1-iodo-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(C=C1)I

PubChem CID 87073
CAS 17356-09-1
Molecular Weight (g/mol) 246.091
MDL Number MFCD00013711
SMILES CC(C)C1=CC=C(C=C1)I
Synonym 1-iodo-4-isopropylbenzene,p-iodocumene,4-iodoisopropylbenzene,2-4'-iodophenyl propane,4-iodocumene,p-iodoisopropylbenzene,1-iodo-4-propan-2-yl benzene,4-isopropyliodobenzene,benzene,1-iodo-4-1-methylethyl,benzene, 1-iodo-4-1-methylethyl
IUPAC Name 1-iodo-4-propan-2-ylbenzene
InChI Key PQJOSEVTIKYWLH-UHFFFAOYSA-N
Molecular Formula C9H11I
3

4-Isopropylphenyl isocyanate, 98%

CAS: 31027-31-3 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD00013880 InChI Key: PJVRNNRZWASOIT-UHFFFAOYSA-N Synonym: 4-isopropylphenyl isocyanate,4-isopropylphenylisocyanate,1-isocyanato-4-isopropylbenzene,1-isocyanato-4-isopropyl-benzene,p-isopropylphenyl isocyanate,benzene, 1-isocyanato-4-1-methylethyl,4-isopropyl phenylisocyanate,4-methylethyl benzenisocyanate,p-cumenyl isocyanate,acmc-1aild PubChem CID: 94416 IUPAC Name: 1-isocyanato-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(C=C1)N=C=O

PubChem CID 94416
CAS 31027-31-3
Molecular Weight (g/mol) 161.204
MDL Number MFCD00013880
SMILES CC(C)C1=CC=C(C=C1)N=C=O
Synonym 4-isopropylphenyl isocyanate,4-isopropylphenylisocyanate,1-isocyanato-4-isopropylbenzene,1-isocyanato-4-isopropyl-benzene,p-isopropylphenyl isocyanate,benzene, 1-isocyanato-4-1-methylethyl,4-isopropyl phenylisocyanate,4-methylethyl benzenisocyanate,p-cumenyl isocyanate,acmc-1aild
IUPAC Name 1-isocyanato-4-propan-2-ylbenzene
InChI Key PJVRNNRZWASOIT-UHFFFAOYSA-N
Molecular Formula C10H11NO
4

Cumene, TRC

CAS: 98-82-8 Molecular Formula: C9 H12 Molecular Weight (g/mol): 120.19 Synonym: Isopropylbenzene,Benzene, (1-methylethyl)-,Cumene (8CI),(1-Methylethyl)benzene,2-Phenylpropane,Cumol,Isopropylbenzene,NSC 8776,i-Propylbenzene IUPAC Name: cumene SMILES: CC(C)c1ccccc1

CAS 98-82-8
Molecular Weight (g/mol) 120.19
SMILES CC(C)c1ccccc1
Synonym Isopropylbenzene,Benzene, (1-methylethyl)-,Cumene (8CI),(1-Methylethyl)benzene,2-Phenylpropane,Cumol,Isopropylbenzene,NSC 8776,i-Propylbenzene
IUPAC Name cumene
Molecular Formula C9 H12
5

1,3-Bis(2,6-diisopropylphenyl)imidazolidinium tetrafluoroborate, 97+%, Thermo Scientific™

CAS: 282109-83-5 Molecular Formula: C27H39BF4N2 Molecular Weight (g/mol): 478.42 MDL Number: MFCD04971187 InChI Key: KFZBJQUHHALFSR-UHFFFAOYSA-N Synonym: 1,3-bis 2,6-diisopropylphenyl-4,5-dihydroimidazolium tetrafluoroborate,1,3-bis 2,6-di-i-propylphenyl-4,5-dihydroimidazolium tetrafluoroborate,sipr-hbf4,1,3-bis 2,6-diisopropylphenyl-4,5-dihydro-1h-imidazol-3-ium tetrafluoroborate,4,5-dihydro-1,3-bis 2,6-diisopropylphenyl imidazolium tetrafluoroborate,n,n'-bis 2,6-diisopropylphenyl dihydroimidazolium tetrafluoroborate,sipr.hbf4,1,3-bis-2,6-diisopropylphenyl imidazolinium tetrafluoroborate,n,n'-2,6-diisopropylphenyl dihydroimidazolium tetrafluoroborate,1,3-bis 2,6-di-i-propylphenyl-4,5-dihydro-imidazolium tetra-fluoroborate PubChem CID: 11375006 IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C

PubChem CID 11375006
CAS 282109-83-5
Molecular Weight (g/mol) 478.42
MDL Number MFCD04971187
SMILES [B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C
Synonym 1,3-bis 2,6-diisopropylphenyl-4,5-dihydroimidazolium tetrafluoroborate,1,3-bis 2,6-di-i-propylphenyl-4,5-dihydroimidazolium tetrafluoroborate,sipr-hbf4,1,3-bis 2,6-diisopropylphenyl-4,5-dihydro-1h-imidazol-3-ium tetrafluoroborate,4,5-dihydro-1,3-bis 2,6-diisopropylphenyl imidazolium tetrafluoroborate,n,n'-bis 2,6-diisopropylphenyl dihydroimidazolium tetrafluoroborate,sipr.hbf4,1,3-bis-2,6-diisopropylphenyl imidazolinium tetrafluoroborate,n,n'-2,6-diisopropylphenyl dihydroimidazolium tetrafluoroborate,1,3-bis 2,6-di-i-propylphenyl-4,5-dihydro-imidazolium tetra-fluoroborate
IUPAC Name 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;tetrafluoroborate
InChI Key KFZBJQUHHALFSR-UHFFFAOYSA-N
Molecular Formula C27H39BF4N2
7

2-(Dicyclohexylphosphino)-2'-isopropylbiphenyl, 98%

CAS: 251320-85-1 Molecular Formula: C27H37P Molecular Weight (g/mol): 392.56 MDL Number: MFCD09744023 InChI Key: PQWWLQRSCJJOIS-UHFFFAOYSA-N Synonym: 2-dicyclohexylphosphino-2'-isopropylbiphenyl,2-dicyclohexylphosphino-2'-i-propylbiphenyl,dicyclohexyl 2'-propan-2-yl 1,1'-biphenyl-2-yl phosphane,dicyclohexyl 2'-isopropyl-1,1'-biphenyl-2-yl phosphane PubChem CID: 23420463 IUPAC Name: dicyclohexyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane SMILES: CC(C)C1=CC=CC=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4

PubChem CID 23420463
CAS 251320-85-1
Molecular Weight (g/mol) 392.56
MDL Number MFCD09744023
SMILES CC(C)C1=CC=CC=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
Synonym 2-dicyclohexylphosphino-2'-isopropylbiphenyl,2-dicyclohexylphosphino-2'-i-propylbiphenyl,dicyclohexyl 2'-propan-2-yl 1,1'-biphenyl-2-yl phosphane,dicyclohexyl 2'-isopropyl-1,1'-biphenyl-2-yl phosphane
IUPAC Name dicyclohexyl-[2-(2-propan-2-ylphenyl)phenyl]phosphane
InChI Key PQWWLQRSCJJOIS-UHFFFAOYSA-N
Molecular Formula C27H37P
8

1-(2,6-Diisopropylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride, 97%, Thermo Scientific™

CAS: 866926-59-2 Molecular Formula: C24H33N2·Cl Molecular Weight (g/mol): 385 InChI Key: RHFFYNDQCMNENO-UHFFFAOYSA-M Synonym: 1-2,6-diisopropylphenyl-3-2,4,6-trimethylphenyl-imidazolinium chloride,1-2,6-di-i-propylphenyl-3-2,4,6-trimethylphenyl-4,5-dihydroimidazolium chloride,1-2,6-diisopropropylphenyl-3-2,4,6-trimethylphenyl-4,5-dihydroimidazolium chloride,1-2,6-diisopropylphenyl-3-2,4,6-trimethylphenyl-4,5-dihydroimidazolium chloride,1-2,6-diisopropylphenyl-3-mesityl-4,5-dihydro-1h-imidazol-3-ium chloride,1-2,6-diisopropylphenyl-3-2,4,6-trimethylphenyl-4,5-dihydro-1??-imidazol-1-ylium chloride,3-2,6-bis 1-methylethyl phenyl-4,5-dihydro-1-2,4,6-trimethylphenyl-1h-imidazolium chloride PubChem CID: 11617932 IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium;chloride SMILES: CC1=CC(=C(C(=C1)C)[N+]2=CN(CC2)C3=C(C=CC=C3C(C)C)C(C)C)C.[Cl-]

PubChem CID 11617932
CAS 866926-59-2
Molecular Weight (g/mol) 385
SMILES CC1=CC(=C(C(=C1)C)[N+]2=CN(CC2)C3=C(C=CC=C3C(C)C)C(C)C)C.[Cl-]
Synonym 1-2,6-diisopropylphenyl-3-2,4,6-trimethylphenyl-imidazolinium chloride,1-2,6-di-i-propylphenyl-3-2,4,6-trimethylphenyl-4,5-dihydroimidazolium chloride,1-2,6-diisopropropylphenyl-3-2,4,6-trimethylphenyl-4,5-dihydroimidazolium chloride,1-2,6-diisopropylphenyl-3-2,4,6-trimethylphenyl-4,5-dihydroimidazolium chloride,1-2,6-diisopropylphenyl-3-mesityl-4,5-dihydro-1h-imidazol-3-ium chloride,1-2,6-diisopropylphenyl-3-2,4,6-trimethylphenyl-4,5-dihydro-1??-imidazol-1-ylium chloride,3-2,6-bis 1-methylethyl phenyl-4,5-dihydro-1-2,4,6-trimethylphenyl-1h-imidazolium chloride
IUPAC Name 1-[2,6-di(propan-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium;chloride
InChI Key RHFFYNDQCMNENO-UHFFFAOYSA-M
Molecular Formula C24H33N2·Cl