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.

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4,051 – 4,065 of 119,712 results

4,051

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1,3-Dioxolane, 99%, Spectrum™ Chemical

CAS: 646-06-0

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CAS	646-06-0

4,052

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2-Methyl-2-phenylpropanenitrile, 97%

CAS: 1195-98-8 Molecular Formula: C₁₀H₁₁N Molecular Weight (g/mol): 145.21 InChI Key: PGQTYXFMSZUGOW-UHFFFAOYSA-N Synonym: 2-methyl-2-phenyl-propionitrile,phenylisobutyronitrile,2-phenylisobutyronitrile,2-methyl-2-phenylpropionitrile,2-methyl-2-phenyl-propanenitrile,alpha,alpha-dimethylbenzyl cyanide,benzeneacetonitrile,a,a-dimethyl,alpha,alpha-dimethylphenylacetonitrile,benzeneacetonitrile,,a,,a-dimethyl,benzeneacetonitrile, alpha,alpha-dimethyl PubChem CID: 2797591 IUPAC Name: 2-methyl-2-phenylpropanenitrile SMILES: CC(C)(C#N)C1=CC=CC=C1

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PubChem CID	2797591
CAS	1195-98-8
Molecular Weight (g/mol)	145.21
SMILES	CC(C)(C#N)C1=CC=CC=C1
Synonym	2-methyl-2-phenyl-propionitrile,phenylisobutyronitrile,2-phenylisobutyronitrile,2-methyl-2-phenylpropionitrile,2-methyl-2-phenyl-propanenitrile,alpha,alpha-dimethylbenzyl cyanide,benzeneacetonitrile,a,a-dimethyl,alpha,alpha-dimethylphenylacetonitrile,benzeneacetonitrile,,a,,a-dimethyl,benzeneacetonitrile, alpha,alpha-dimethyl
IUPAC Name	2-methyl-2-phenylpropanenitrile
InChI Key	PGQTYXFMSZUGOW-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₁N

4,053

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1-Nitro-4-n-propylbenzene, 96%

CAS: 10342-59-3 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00051839 InChI Key: SXQBFCVVZIYXHV-UHFFFAOYSA-N Synonym: 1-nitro-4-propyl-benzene,1-nitro-4-n-propylbenzene,4-nitro-n-propylbenzene,4-propylnitrobenzene,benzene, 1-nitro-4-propyl,p-nitropropylbenzene,p-propylnitrobenzene,1-nitro-4-propylbenzol PubChem CID: 82559 IUPAC Name: 1-nitro-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	82559
CAS	10342-59-3
Molecular Weight (g/mol)	165.19
MDL Number	MFCD00051839
SMILES	CCCC1=CC=C(C=C1)[N+]([O-])=O
Synonym	1-nitro-4-propyl-benzene,1-nitro-4-n-propylbenzene,4-nitro-n-propylbenzene,4-propylnitrobenzene,benzene, 1-nitro-4-propyl,p-nitropropylbenzene,p-propylnitrobenzene,1-nitro-4-propylbenzol
IUPAC Name	1-nitro-4-propylbenzene
InChI Key	SXQBFCVVZIYXHV-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

4,054

3-[4-(tert-Butyl)phenyl]-5-(chloromethyl)-1,2,4-oxadiazole, Tech., Thermo Scientific™

CAS: 175204-40-7 Molecular Formula: C13H15ClN2O Molecular Weight (g/mol): 250.726 MDL Number: MFCD00124908 InChI Key: ZLQQUIHBQATFOP-UHFFFAOYSA-N Synonym: 3-4-tert-butylphenyl-5-chloromethyl-1,2,4-oxadiazole,3-4-tert-butyl phenyl-5-chloromethyl-1,2,4-oxadiazole,3-4-tert-butylphenyl-5-chloromethyl-1,2,4 oxadiazole,1,2,4-oxadiazole,5-chloromethyl-3-4-1,1-dimethylethyl phenyl,3-4-tert-butyl-phenyl-5-chloromethyl-1,2,4 o xadiazole PubChem CID: 2781701 IUPAC Name: 3-(4-tert-butylphenyl)-5-(chloromethyl)-1,2,4-oxadiazole SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCl

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PubChem CID	2781701
CAS	175204-40-7
Molecular Weight (g/mol)	250.726
MDL Number	MFCD00124908
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)CCl
Synonym	3-4-tert-butylphenyl-5-chloromethyl-1,2,4-oxadiazole,3-4-tert-butyl phenyl-5-chloromethyl-1,2,4-oxadiazole,3-4-tert-butylphenyl-5-chloromethyl-1,2,4 oxadiazole,1,2,4-oxadiazole,5-chloromethyl-3-4-1,1-dimethylethyl phenyl,3-4-tert-butyl-phenyl-5-chloromethyl-1,2,4 o xadiazole
IUPAC Name	3-(4-tert-butylphenyl)-5-(chloromethyl)-1,2,4-oxadiazole
InChI Key	ZLQQUIHBQATFOP-UHFFFAOYSA-N
Molecular Formula	C13H15ClN2O

4,055

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Xylometazoline Hydrochloride, Spectrum™ Chemical

CAS: 1218-35-5 Molecular Formula: C16H25ClN2 Molecular Weight (g/mol): 280.84 InChI Key: YGWFCQYETHJKNX-UHFFFAOYSA-N IUPAC Name: hydrogen 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole chloride SMILES: [H+].[Cl-].CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C

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CAS	1218-35-5
Molecular Weight (g/mol)	280.84
SMILES	[H+].[Cl-].CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C
IUPAC Name	hydrogen 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole chloride
InChI Key	YGWFCQYETHJKNX-UHFFFAOYSA-N
Molecular Formula	C16H25ClN2

4,056

1,3-Dioxolane, 99.5+%, pure, stabilized

CAS: 646-06-0 Molecular Formula: C₃H₆O₂ Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003207 InChI Key: WNXJIVFYUVYPPR-UHFFFAOYSA-N Synonym: dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

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PubChem CID	31404
CAS	646-06-0
Molecular Weight (g/mol)	74.08
ChEBI	CHEBI:34247
MDL Number	MFCD00003207
SMILES	CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym	dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech
IUPAC Name	2,6-ditert-butyl-4-methylphenol
InChI Key	WNXJIVFYUVYPPR-UHFFFAOYSA-N
Molecular Formula	C₃H₆O₂

4,057

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4-Isobutylphenylmagnesium bromide, 0.5M in 2-MeTHF

CAS: 863780-45-4 Molecular Formula: C10H13BrMg Molecular Weight (g/mol): 237.423 MDL Number: MFCD11113503 InChI Key: VMAJYUMMJYAXIG-UHFFFAOYSA-M Synonym: p-isobutylphenyl magnesium bromide,qoxyxvturbxklc-uhfffaoysa-m,grignard reagent PubChem CID: 86067760 IUPAC Name: magnesium;2-methylpropylbenzene;bromide SMILES: CC(C)CC1=CC=[C-]C=C1.[Mg+2].[Br-]

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Specifications

PubChem CID	86067760
CAS	863780-45-4
Molecular Weight (g/mol)	237.423
MDL Number	MFCD11113503
SMILES	CC(C)CC1=CC=[C-]C=C1.[Mg+2].[Br-]
Synonym	p-isobutylphenyl magnesium bromide,qoxyxvturbxklc-uhfffaoysa-m,grignard reagent
IUPAC Name	magnesium;2-methylpropylbenzene;bromide
InChI Key	VMAJYUMMJYAXIG-UHFFFAOYSA-M
Molecular Formula	C10H13BrMg

4,058

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2-Bromo-4,6-di-tert-butylphenol, 97%

CAS: 20834-61-1 Molecular Formula: C14H21BrO Molecular Weight (g/mol): 285.225 MDL Number: MFCD00051597 InChI Key: DIWZVAHZEOFSLS-UHFFFAOYSA-N Synonym: 2-bromo-4,6-di-tert-butylphenol,2-bromo-4,6-di-t-butylphenol,2,4-di-tert-butyl-6-bromophenol,phenol, 2-bromo-4,6-bis 1,1-dimethylethyl,phenol,2-bromo-4,6-bis 1,1-dimethylethyl,acmc-1crlp,4,6-di-t-butyl-2-bromophenol,6-bromo-2,4-di-t-butylphenol,2-bromo4,6-di-tert-butylphenol,2-bromo-4, 6-di-tert-butylphenol PubChem CID: 519822 IUPAC Name: 2-bromo-4,6-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C(=C1)Br)O)C(C)(C)C

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Specifications

PubChem CID	519822
CAS	20834-61-1
Molecular Weight (g/mol)	285.225
MDL Number	MFCD00051597
SMILES	CC(C)(C)C1=CC(=C(C(=C1)Br)O)C(C)(C)C
Synonym	2-bromo-4,6-di-tert-butylphenol,2-bromo-4,6-di-t-butylphenol,2,4-di-tert-butyl-6-bromophenol,phenol, 2-bromo-4,6-bis 1,1-dimethylethyl,phenol,2-bromo-4,6-bis 1,1-dimethylethyl,acmc-1crlp,4,6-di-t-butyl-2-bromophenol,6-bromo-2,4-di-t-butylphenol,2-bromo4,6-di-tert-butylphenol,2-bromo-4, 6-di-tert-butylphenol
IUPAC Name	2-bromo-4,6-ditert-butylphenol
InChI Key	DIWZVAHZEOFSLS-UHFFFAOYSA-N
Molecular Formula	C14H21BrO

4,059

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3,5-Di-tert-butyl-4-hydroxybenzyl alcohol, 97%

CAS: 88-26-6 Molecular Formula: C15H24O2 Molecular Weight (g/mol): 236.355 MDL Number: MFCD00017254 InChI Key: HNURKXXMYARGAY-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol PubChem CID: 6929 IUPAC Name: 2,6-ditert-butyl-4-(hydroxymethyl)phenol SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO

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Specifications

PubChem CID	6929
CAS	88-26-6
Molecular Weight (g/mol)	236.355
MDL Number	MFCD00017254
SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CO
Synonym	3,5-di-tert-butyl-4-hydroxybenzyl alcohol,2,6-di-tert-butyl-4-hydroxymethyl phenol,2,6-di-tert-butyl-4-hydroxymethylphenol,bht alcohol,antioxidant 754,ionox 100,ionox 100 antioxidant,3,5-di-t-butyl-4-hydroxybenzyl alcohol,butylated hydroxymethylphenol,2,6-di-t-butyl-4-hydroxymethylphenol
IUPAC Name	2,6-ditert-butyl-4-(hydroxymethyl)phenol
InChI Key	HNURKXXMYARGAY-UHFFFAOYSA-N
Molecular Formula	C15H24O2

4,060

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2-Bromobenzonitrile, 99%

CAS: 2042-37-7 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001772 InChI Key: AFMPMSCZPVNPEM-UHFFFAOYSA-N Synonym: o-bromobenzonitrile,1-bromo-2-cyanobenzene,benzonitrile, 2-bromo,benzonitrile, o-bromo,2-bromobenzenecarbonitrile,o-bromocyanobenzene,2-cyanobromobenzene,2-bromo-benzonitrile,bromobenzonitrile 2-,bromobenzonitrile PubChem CID: 16272 IUPAC Name: 2-bromobenzonitrile SMILES: BrC1=CC=CC=C1C#N

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PubChem CID	16272
CAS	2042-37-7
Molecular Weight (g/mol)	182.02
MDL Number	MFCD00001772
SMILES	BrC1=CC=CC=C1C#N
Synonym	o-bromobenzonitrile,1-bromo-2-cyanobenzene,benzonitrile, 2-bromo,benzonitrile, o-bromo,2-bromobenzenecarbonitrile,o-bromocyanobenzene,2-cyanobromobenzene,2-bromo-benzonitrile,bromobenzonitrile 2-,bromobenzonitrile
IUPAC Name	2-bromobenzonitrile
InChI Key	AFMPMSCZPVNPEM-UHFFFAOYSA-N
Molecular Formula	C7H4BrN

4,061

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1-tert-Butyl-4-iodobenzene, 97%

CAS: 35779-04-5 Molecular Formula: C10H13I Molecular Weight (g/mol): 260.118 MDL Number: MFCD00052339 InChI Key: WQVIVQDHNKQWTM-UHFFFAOYSA-N Synonym: 1-tert-butyl-4-iodobenzene,4-tert-butyliodobenzene,4-t-butyliodobenzene,1-iodo-4-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-4-iodo,4-tert-butyl-1-iodobenzene,2-4-iodophenyl-2-methylpropane,2-4'-iodophenyl-2-methylpropane,pubchem3974,4-t-butyl-iodobenzene PubChem CID: 142029 IUPAC Name: 1-tert-butyl-4-iodobenzene SMILES: CC(C)(C)C1=CC=C(C=C1)I

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Specifications

PubChem CID	142029
CAS	35779-04-5
Molecular Weight (g/mol)	260.118
MDL Number	MFCD00052339
SMILES	CC(C)(C)C1=CC=C(C=C1)I
Synonym	1-tert-butyl-4-iodobenzene,4-tert-butyliodobenzene,4-t-butyliodobenzene,1-iodo-4-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-4-iodo,4-tert-butyl-1-iodobenzene,2-4-iodophenyl-2-methylpropane,2-4'-iodophenyl-2-methylpropane,pubchem3974,4-t-butyl-iodobenzene
IUPAC Name	1-tert-butyl-4-iodobenzene
InChI Key	WQVIVQDHNKQWTM-UHFFFAOYSA-N
Molecular Formula	C10H13I

4,062

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5-tert-Butyl-2-iodo-1,3-dimethylbenzene, 97%

CAS: 5122-20-3 Molecular Formula: C12H17I Molecular Weight (g/mol): 288.17 MDL Number: MFCD00052173 InChI Key: SCKWYPTZVFBKKW-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-iodo-1,3-dimethylbenzene,maybridge4_003980,acmc-20am7p,5-tert-butyl-2-iodo-m-xylene,4-tert-butyl-2,6-dimethyliodobenzene,5-tert-butyl-2-iodo-1,3-dimeth,5-tert-butyl-2-iodo-1,3-dimethyl-benzene,benzene,5-1,1-dimethylethyl-2-iodo-1,3-dimethyl PubChem CID: 2739988 IUPAC Name: 5-tert-butyl-2-iodo-1,3-dimethylbenzene SMILES: CC1=CC(=CC(C)=C1I)C(C)(C)C

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Specifications

PubChem CID	2739988
CAS	5122-20-3
Molecular Weight (g/mol)	288.17
MDL Number	MFCD00052173
SMILES	CC1=CC(=CC(C)=C1I)C(C)(C)C
Synonym	5-tert-butyl-2-iodo-1,3-dimethylbenzene,maybridge4_003980,acmc-20am7p,5-tert-butyl-2-iodo-m-xylene,4-tert-butyl-2,6-dimethyliodobenzene,5-tert-butyl-2-iodo-1,3-dimeth,5-tert-butyl-2-iodo-1,3-dimethyl-benzene,benzene,5-1,1-dimethylethyl-2-iodo-1,3-dimethyl
IUPAC Name	5-tert-butyl-2-iodo-1,3-dimethylbenzene
InChI Key	SCKWYPTZVFBKKW-UHFFFAOYSA-N
Molecular Formula	C12H17I

4,063

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2-Chloro-4-iodoaniline, 98%

CAS: 42016-93-3 Molecular Formula: C6H5ClIN Molecular Weight (g/mol): 253.47 MDL Number: MFCD00025298 InChI Key: MYDAOWXYGPEPJT-UHFFFAOYSA-N Synonym: 2-chloro-4-iodo-phenylamine,benzenamine, 2-chloro-4-iodo,2-chloro-4-iodo-aniline,ccris 9438,zlchem 542,pubchem3811,2-chloro-4-iodoanilline,2-chloro-4-iodo aniline,acmc-1am5p,2-chloro-4-iodophenylamine PubChem CID: 282930 IUPAC Name: 2-chloro-4-iodoaniline SMILES: NC1=CC=C(I)C=C1Cl

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Specifications

PubChem CID	282930
CAS	42016-93-3
Molecular Weight (g/mol)	253.47
MDL Number	MFCD00025298
SMILES	NC1=CC=C(I)C=C1Cl
Synonym	2-chloro-4-iodo-phenylamine,benzenamine, 2-chloro-4-iodo,2-chloro-4-iodo-aniline,ccris 9438,zlchem 542,pubchem3811,2-chloro-4-iodoanilline,2-chloro-4-iodo aniline,acmc-1am5p,2-chloro-4-iodophenylamine
IUPAC Name	2-chloro-4-iodoaniline
InChI Key	MYDAOWXYGPEPJT-UHFFFAOYSA-N
Molecular Formula	C6H5ClIN

4,064

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2-Bromo-2-nitro-1,3-propanediol, 98.0-100.5%, Spectrum™ Chemical

CAS: 52-51-7 Molecular Formula: C3H6BrNO4 Molecular Weight (g/mol): 199.99 InChI Key: LVDKZNITIUWNER-UHFFFAOYSA-N IUPAC Name: 2-bromo-2-nitropropane-1,3-diol SMILES: OCC(Br)(CO)[N+]([O-])=O

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Specifications

CAS	52-51-7
Molecular Weight (g/mol)	199.99
SMILES	OCC(Br)(CO)[N+]([O-])=O
IUPAC Name	2-bromo-2-nitropropane-1,3-diol
InChI Key	LVDKZNITIUWNER-UHFFFAOYSA-N
Molecular Formula	C3H6BrNO4

4,065

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4-tert-Butylbenzoic anhydride, 95%

CAS: 22201-45-2 Molecular Formula: C22H26O3 Molecular Weight (g/mol): 338.45 MDL Number: MFCD09757530 InChI Key: KKDPRVYYZZUPLR-UHFFFAOYSA-N Synonym: 4-tert-butylbenzoic anhydride,4-tert-butylbenzoyl 4-tert-butylbenzoate,bis 4-tert-butylbenzoic acid anhydride,benzoic acid,4-1,1-dimethylethyl-, anhydride with 4-1,1-dimethylethyl benzoic acid PubChem CID: 14962255 IUPAC Name: (4-tert-butylbenzoyl) 4-tert-butylbenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OC(=O)C1=CC=C(C=C1)C(C)(C)C

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Specifications

PubChem CID	14962255
CAS	22201-45-2
Molecular Weight (g/mol)	338.45
MDL Number	MFCD09757530
SMILES	CC(C)(C)C1=CC=C(C=C1)C(=O)OC(=O)C1=CC=C(C=C1)C(C)(C)C
Synonym	4-tert-butylbenzoic anhydride,4-tert-butylbenzoyl 4-tert-butylbenzoate,bis 4-tert-butylbenzoic acid anhydride,benzoic acid,4-1,1-dimethylethyl-, anhydride with 4-1,1-dimethylethyl benzoic acid
IUPAC Name	(4-tert-butylbenzoyl) 4-tert-butylbenzoate
InChI Key	KKDPRVYYZZUPLR-UHFFFAOYSA-N
Molecular Formula	C22H26O3

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