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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1,906 – 1,920 of 57,279 results

1,906

1-Phenyl-2-propanol, 98%

CAS: 14898-87-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004540 InChI Key: WYTRYIUQUDTGSX-UHFFFAOYNA-N Synonym: 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol PubChem CID: 94185 IUPAC Name: 1-phenylpropan-2-ol SMILES: CC(O)CC1=CC=CC=C1

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Specifications

PubChem CID	94185
CAS	14898-87-4
Molecular Weight (g/mol)	136.19
MDL Number	MFCD00004540
SMILES	CC(O)CC1=CC=CC=C1
Synonym	1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol
IUPAC Name	1-phenylpropan-2-ol
InChI Key	WYTRYIUQUDTGSX-UHFFFAOYNA-N
Molecular Formula	C9H12O

1,907

2-tert-Butylphenol, 99%

CAS: 88-18-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002223 InChI Key: WJQOZHYUIDYNHM-UHFFFAOYSA-N Synonym: 2-tert-butyl phenol,2-t-butylphenol,phenol, 2-1,1-dimethylethyl,phenol, o-tert-butyl,o-t-butylphenol,o-tert-butylphenol,tert-butylphenol,2-1,1-dimethylethyl phenol,2-tert-butyl-1-hydroxybenzene,t-butylphenol PubChem CID: 6923 ChEBI: CHEBI:34305 IUPAC Name: 2-tert-butylphenol SMILES: CC(C)(C)C1=CC=CC=C1O

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Specifications

PubChem CID	6923
CAS	88-18-6
Molecular Weight (g/mol)	150.221
ChEBI	CHEBI:34305
MDL Number	MFCD00002223
SMILES	CC(C)(C)C1=CC=CC=C1O
Synonym	2-tert-butyl phenol,2-t-butylphenol,phenol, 2-1,1-dimethylethyl,phenol, o-tert-butyl,o-t-butylphenol,o-tert-butylphenol,tert-butylphenol,2-1,1-dimethylethyl phenol,2-tert-butyl-1-hydroxybenzene,t-butylphenol
IUPAC Name	2-tert-butylphenol
InChI Key	WJQOZHYUIDYNHM-UHFFFAOYSA-N
Molecular Formula	C10H14O

1,908

1-(2-Fluorophenyl)-2-propylamine, 97%

CAS: 1716-60-5 Molecular Formula: C9H12FN Molecular Weight (g/mol): 153.20 MDL Number: MFCD01708100 InChI Key: GDSXNLDTQFFIEU-UHFFFAOYNA-N Synonym: 2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride PubChem CID: 121531 IUPAC Name: 1-(2-fluorophenyl)propan-2-amine SMILES: CC(N)CC1=CC=CC=C1F

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Specifications

PubChem CID	121531
CAS	1716-60-5
Molecular Weight (g/mol)	153.20
MDL Number	MFCD01708100
SMILES	CC(N)CC1=CC=CC=C1F
Synonym	2-fluoroamphetamine,1-2-fluorophenyl propan-2-amine,o-fluoro-alpha-methylphenethylamine,phenethylamine, o-fluoro-alpha-methyl,1-2-fluorophenyl-2-propylamine,2-fa,o-fluoro-a-methylphenethylamine,benzeneethanamine,2-fluoro-a-methyl,1-2-fluorophenyl propan-2-aminehydrochloride
IUPAC Name	1-(2-fluorophenyl)propan-2-amine
InChI Key	GDSXNLDTQFFIEU-UHFFFAOYNA-N
Molecular Formula	C9H12FN

1,909

2,4-Di-tert-butylphenol, 97%

CAS: 96-76-4 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00008828 InChI Key: ICKWICRCANNIBI-UHFFFAOYSA-N Synonym: 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt PubChem CID: 7311 IUPAC Name: 2,4-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C

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Specifications

PubChem CID	7311
CAS	96-76-4
Molecular Weight (g/mol)	206.329
MDL Number	MFCD00008828
SMILES	CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
Synonym	2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt
IUPAC Name	2,4-ditert-butylphenol
InChI Key	ICKWICRCANNIBI-UHFFFAOYSA-N
Molecular Formula	C14H22O

1,910

2,5-Di-tert-butylhydroquinone, 98+%

CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-ditert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C

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Specifications

PubChem CID	2374
CAS	88-58-4
Molecular Weight (g/mol)	222.33
ChEBI	CHEBI:41094
MDL Number	MFCD00008825
SMILES	CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
Synonym	2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone
IUPAC Name	2,5-ditert-butylbenzene-1,4-diol
InChI Key	JZODKRWQWUWGCD-UHFFFAOYSA-N
Molecular Formula	C14H22O2

1,911

1,3-Di-tert-butylbenzene, 99%

CAS: 1014-60-4 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00008830 InChI Key: ILNDSSCEZZFNGE-UHFFFAOYSA-N Synonym: 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene PubChem CID: 136810 IUPAC Name: 1,3-ditert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C

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Specifications

PubChem CID	136810
CAS	1014-60-4
Molecular Weight (g/mol)	190.33
MDL Number	MFCD00008830
SMILES	CC(C)(C)C1=CC(=CC=C1)C(C)(C)C
Synonym	1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene
IUPAC Name	1,3-ditert-butylbenzene
InChI Key	ILNDSSCEZZFNGE-UHFFFAOYSA-N
Molecular Formula	C14H22

1,912

4-tert-Butylphenylmagnesium bromide, 0.50 M in 2-MeTHF

CAS: 63488-10-8 Molecular Formula: C10H13BrMg Molecular Weight (g/mol): 237.42 MDL Number: MFCD00013244 InChI Key: YECFWFOEQLAVNH-UHFFFAOYSA-M Synonym: 4-tert-butylphenylmagnesium bromide,4-t-butylphenylmagnesium bromide,bromo 4-tert-butylphenyl magnesium,magnesium, bromo 4-1,1-dimethylethyl phenyl,4-tert-butylphenylmagnesium bromide solution,yecfwfoeqlavnh-uhfffaoysa-m,4-tert-butylphenyhnagnesium bromide,4-tert.-butylphenylmagnesium bromide,4-tert-butylphenyl magnesium bromide,4-tert butyl phenyl magnesium bromide,grignard reagent PubChem CID: 4608371 IUPAC Name: magnesium;tert-butylbenzene;bromide SMILES: CC(C)(C)C1=CC=C([Mg]Br)C=C1

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Specifications

PubChem CID	4608371
CAS	63488-10-8
Molecular Weight (g/mol)	237.42
MDL Number	MFCD00013244
SMILES	CC(C)(C)C1=CC=C([Mg]Br)C=C1
Synonym	4-tert-butylphenylmagnesium bromide,4-t-butylphenylmagnesium bromide,bromo 4-tert-butylphenyl magnesium,magnesium, bromo 4-1,1-dimethylethyl phenyl,4-tert-butylphenylmagnesium bromide solution,yecfwfoeqlavnh-uhfffaoysa-m,4-tert-butylphenyhnagnesium bromide,4-tert.-butylphenylmagnesium bromide,4-tert-butylphenyl magnesium bromide,4-tert butyl phenyl magnesium bromide,grignard reagent
IUPAC Name	magnesium;tert-butylbenzene;bromide
InChI Key	YECFWFOEQLAVNH-UHFFFAOYSA-M
Molecular Formula	C10H13BrMg

1,913

1,3-Dioxolane, 99.8%, anhydrous, stabilized with 75 ppm BHT, AcroSeal™

CAS: 646-06-0 Molecular Formula: C₃H₆O₂ Molecular Weight (g/mol): 74.08 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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Specifications

PubChem CID	31404
CAS	646-06-0
Molecular Weight (g/mol)	74.08
ChEBI	CHEBI:34247
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

1,914

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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Specifications

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

1,915

2-Phenyl-2-propanol, 98+%

CAS: 617-94-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004456 InChI Key: BDCFWIDZNLCTMF-UHFFFAOYSA-N Synonym: 2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol PubChem CID: 12053 IUPAC Name: 2-phenylpropan-2-ol SMILES: CC(C)(O)C1=CC=CC=C1

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Specifications

PubChem CID	12053
CAS	617-94-7
Molecular Weight (g/mol)	136.19
MDL Number	MFCD00004456
SMILES	CC(C)(O)C1=CC=CC=C1
Synonym	2-phenyl-2-propanol,dimethylphenylcarbinol,1-hydroxycumene,dimethylphenylmethanol,alpha-cumyl alcohol,phenyldimethylcarbinol,2-propanol, 2-phenyl,2-phenylisopropanol,alpha,alpha-dimethylbenzyl alcohol,2-phenyl-propan-2-ol
IUPAC Name	2-phenylpropan-2-ol
InChI Key	BDCFWIDZNLCTMF-UHFFFAOYSA-N
Molecular Formula	C9H12O

1,916

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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Specifications

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

1,917

5-tert-Butyl-m-xylene, 98%

CAS: 98-19-1 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008832 InChI Key: FZSPYHREEHYLCB-UHFFFAOYSA-N Synonym: 5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl PubChem CID: 7378 IUPAC Name: 1-tert-butyl-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)C(C)(C)C)C

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Specifications

PubChem CID	7378
CAS	98-19-1
Molecular Weight (g/mol)	162.276
MDL Number	MFCD00008832
SMILES	CC1=CC(=CC(=C1)C(C)(C)C)C
Synonym	5-tert-butyl-m-xylene,1-tert-butyl-3,5-dimethylbenzene,m-xylene, 5-tert-butyl,1,3-dimethyl-5-tert-butylbenzene,benzene, 1-1,1-dimethylethyl-3,5-dimethyl,5-tert-butyl-1,3-dimethylbenzene,benzene, 5-tert-butyl-1,3-dimethyl,1,3-dimethyl-5-t-butylbenzene,5-t-butyl-1,3-dimethylbenzene,benzene, 1,3-dimethyl-5-1,1-dimethylethyl
IUPAC Name	1-tert-butyl-3,5-dimethylbenzene
InChI Key	FZSPYHREEHYLCB-UHFFFAOYSA-N
Molecular Formula	C12H18

1,918

1-(4-Chlorophenyl)-1-methylethylamine, 97%

CAS: 17797-11-4 Molecular Formula: C9H12ClN Molecular Weight (g/mol): 169.65 MDL Number: MFCD08669636 InChI Key: JCUUNSQUTQELEZ-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propan-2-amine,1-4-chlorophenyl-1-methylethylamine,2-4-chlorophenyl prop-2-ylamine,4-chloro-alpha,alpha-dimethylbenzylamine,4-chlorocumylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a,,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl PubChem CID: 11030256 IUPAC Name: 2-(4-chlorophenyl)propan-2-amine SMILES: CC(C)(N)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	11030256
CAS	17797-11-4
Molecular Weight (g/mol)	169.65
MDL Number	MFCD08669636
SMILES	CC(C)(N)C1=CC=C(Cl)C=C1
Synonym	2-4-chlorophenyl propan-2-amine,1-4-chlorophenyl-1-methylethylamine,2-4-chlorophenyl prop-2-ylamine,4-chloro-alpha,alpha-dimethylbenzylamine,4-chlorocumylamine,alpha-amino-4-chlorocumene,2-4-chlorophenyl-2-propanamine,2-?4-chlorophenyl?propan-2-amine,benzenemethanamine,4-chloro-,a,,a-dimethyl,benzenemethanamine,4-chloro-a,a-dimethyl
IUPAC Name	2-(4-chlorophenyl)propan-2-amine
InChI Key	JCUUNSQUTQELEZ-UHFFFAOYSA-N
Molecular Formula	C9H12ClN

1,919

4-tert-Butylbenzyl chloride, 99%

CAS: 19692-45-6 Molecular Formula: C11H15Cl Molecular Weight (g/mol): 182.69 MDL Number: MFCD00000918 InChI Key: WAXIFMGAKWIFDQ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene PubChem CID: 88198 IUPAC Name: 1-tert-butyl-4-(chloromethyl)benzene SMILES: CC(C)(C)C1=CC=C(CCl)C=C1

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Specifications

PubChem CID	88198
CAS	19692-45-6
Molecular Weight (g/mol)	182.69
MDL Number	MFCD00000918
SMILES	CC(C)(C)C1=CC=C(CCl)C=C1
Synonym	4-tert-butylbenzyl chloride,1-tert-butyl-4-chloromethyl benzene,p-tert-butylbenzyl chloride,4-tert-butyl benzyl chloride,benzene, 1-chloromethyl-4-1,1-dimethylethyl,4-tert-butyl benzylchloride,p-t-butylbenzyl chloride,1-chloromethyl-4-tert-butylbenzene,p-tert-butyl-.alpha.-chlorotoluene
IUPAC Name	1-tert-butyl-4-(chloromethyl)benzene
InChI Key	WAXIFMGAKWIFDQ-UHFFFAOYSA-N
Molecular Formula	C11H15Cl

1,920

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

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