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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1,726 – 1,740 of 57,426 results

1,726

Benzyl alcohol, ACS reagent

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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Specifications

PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

1,727

3,4-Dichlorobenzyl bromide, 98%

CAS: 18880-04-1 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.921 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl

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Specifications

PubChem CID	639726
CAS	18880-04-1
Molecular Weight (g/mol)	239.921
MDL Number	MFCD00041363
SMILES	C1=CC(=C(C=C1CBr)Cl)Cl
Synonym	3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763
IUPAC Name	4-(bromomethyl)-1,2-dichlorobenzene
InChI Key	XLWSBDFQAJXCQX-UHFFFAOYSA-N
Molecular Formula	C7H5BrCl2

1,728

(S)-2-Amino-3-benzyloxy-1-propanol hydrochloride, 98+%, Thermo Scientific Chemicals

CAS: 61366-43-6 Molecular Formula: C10H16ClNO2 Molecular Weight (g/mol): 217.69 MDL Number: MFCD07368914 InChI Key: BJWHQBTUHVIRJJ-UHFFFAOYNA-N Synonym: s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s-2-amino-3-benzyloxy-1-propanol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s---2-amino-3-benzyloxy-1-propanol??hcl,s-2-amino-3-benzyloxy-propan-1-ol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol-hydrogen chloride 1/1 PubChem CID: 53338757 SMILES: Cl.NC(CO)COCC1=CC=CC=C1

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Specifications

PubChem CID	53338757
CAS	61366-43-6
Molecular Weight (g/mol)	217.69
MDL Number	MFCD07368914
SMILES	Cl.NC(CO)COCC1=CC=CC=C1
Synonym	s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s-2-amino-3-benzyloxy-1-propanol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s---2-amino-3-benzyloxy-1-propanol??hcl,s-2-amino-3-benzyloxy-propan-1-ol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol-hydrogen chloride 1/1
InChI Key	BJWHQBTUHVIRJJ-UHFFFAOYNA-N
Molecular Formula	C10H16ClNO2

1,729

2-(3-Bromo-4-fluorophenyl)acetonitrile, 96%

CAS: 501420-63-9 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.037 MDL Number: MFCD08458154 InChI Key: ORKCKZRBHXMWBO-UHFFFAOYSA-N Synonym: 2-3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluorophenylacetonitrile,3-bromo-4-fluorobenzyl cyanide,benzeneacetonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluoro benzyl cyanide,3-bromo-4-fluorobenzeneacetonitrile,2-3-bromo-4-fluorophenyl ethanenitrile PubChem CID: 20113897 IUPAC Name: 2-(3-bromo-4-fluorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1CC#N)Br)F

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Specifications

PubChem CID	20113897
CAS	501420-63-9
Molecular Weight (g/mol)	214.037
MDL Number	MFCD08458154
SMILES	C1=CC(=C(C=C1CC#N)Br)F
Synonym	2-3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluorophenylacetonitrile,3-bromo-4-fluorobenzyl cyanide,benzeneacetonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluoro benzyl cyanide,3-bromo-4-fluorobenzeneacetonitrile,2-3-bromo-4-fluorophenyl ethanenitrile
IUPAC Name	2-(3-bromo-4-fluorophenyl)acetonitrile
InChI Key	ORKCKZRBHXMWBO-UHFFFAOYSA-N
Molecular Formula	C8H5BrFN

1,730

2-[4-(Chloromethyl)phenyl]-1,3-thiazole, 97%, Thermo Scientific™

CAS: 906352-61-2 Molecular Formula: C10H8ClNS Molecular Weight (g/mol): 209.691 MDL Number: MFCD09064951 InChI Key: BFAWMDHRKPPXSO-UHFFFAOYSA-N Synonym: 2-4-chloromethyl phenyl-1,3-thiazole,2-4-chloromethyl phenyl thiazole PubChem CID: 24229488 IUPAC Name: 2-[4-(chloromethyl)phenyl]-1,3-thiazole SMILES: C1=CC(=CC=C1CCl)C2=NC=CS2

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Specifications

PubChem CID	24229488
CAS	906352-61-2
Molecular Weight (g/mol)	209.691
MDL Number	MFCD09064951
SMILES	C1=CC(=CC=C1CCl)C2=NC=CS2
Synonym	2-4-chloromethyl phenyl-1,3-thiazole,2-4-chloromethyl phenyl thiazole
IUPAC Name	2-[4-(chloromethyl)phenyl]-1,3-thiazole
InChI Key	BFAWMDHRKPPXSO-UHFFFAOYSA-N
Molecular Formula	C10H8ClNS

1,731

4-Benzyloxybenzyl alcohol, 98+%

CAS: 836-43-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00004654 InChI Key: OEBIVOHKFYSBPE-UHFFFAOYSA-N Synonym: 4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang PubChem CID: 70043 ChEBI: CHEBI:29486 IUPAC Name: (4-phenylmethoxyphenyl)methanol SMILES: OCC1=CC=C(OCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	70043
CAS	836-43-1
Molecular Weight (g/mol)	214.26
ChEBI	CHEBI:29486
MDL Number	MFCD00004654
SMILES	OCC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonym	4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang
IUPAC Name	(4-phenylmethoxyphenyl)methanol
InChI Key	OEBIVOHKFYSBPE-UHFFFAOYSA-N
Molecular Formula	C14H14O2

1,732

4-Fluorobenzyl bromide, 97%

CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1

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Specifications

PubChem CID	68021
CAS	459-46-1
Molecular Weight (g/mol)	189.03
MDL Number	MFCD00000359
SMILES	FC1=CC=C(CBr)C=C1
Synonym	4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide
IUPAC Name	1-(bromomethyl)-4-fluorobenzene
InChI Key	NVNPLEPBDPJYRZ-UHFFFAOYSA-N
Molecular Formula	C7H6BrF

1,733

[3-(1H-1,2,4-Triazol-1-yl)phenyl]methanol, ≥95%, Thermo Scientific™

CAS: 868755-55-9 Molecular Formula: C9H9N3O Molecular Weight (g/mol): 175.19 MDL Number: MFCD08271897 InChI Key: KUSZGGXHHOYFHS-UHFFFAOYSA-N Synonym: 3-1h-1,2,4-triazol-1-yl phenyl methanol,3-1,2,4-triazol-1-yl phenyl methanol,3-1,2,4-triazolyl phenyl methan-1-ol PubChem CID: 20485344 IUPAC Name: [3-(1H-1,2,4-triazol-1-yl)phenyl]methanol SMILES: OCC1=CC(=CC=C1)N1C=NC=N1

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Specifications

PubChem CID	20485344
CAS	868755-55-9
Molecular Weight (g/mol)	175.19
MDL Number	MFCD08271897
SMILES	OCC1=CC(=CC=C1)N1C=NC=N1
Synonym	3-1h-1,2,4-triazol-1-yl phenyl methanol,3-1,2,4-triazol-1-yl phenyl methanol,3-1,2,4-triazolyl phenyl methan-1-ol
IUPAC Name	[3-(1H-1,2,4-triazol-1-yl)phenyl]methanol
InChI Key	KUSZGGXHHOYFHS-UHFFFAOYSA-N
Molecular Formula	C9H9N3O

1,734

4-Bromophenylacetonitrile, 99%

CAS: 16532-79-9 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001916 InChI Key: MFHFWRBXPQDZSA-UHFFFAOYSA-N Synonym: 4-bromophenylacetonitrile,4-bromobenzyl cyanide,2-4-bromophenyl acetonitrile,benzeneacetonitrile, 4-bromo,p-bromophenylacetonitrile,4-bromobenzylcyanide,4-bromobenzeneacetonitrile,p-bromobenzyl cyanide,p-bromobenzylcyanide,acetonitrile, p-bromophenyl PubChem CID: 27914 IUPAC Name: 2-(4-bromophenyl)acetonitrile SMILES: BrC1=CC=C(CC#N)C=C1

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Specifications

PubChem CID	27914
CAS	16532-79-9
Molecular Weight (g/mol)	196.05
MDL Number	MFCD00001916
SMILES	BrC1=CC=C(CC#N)C=C1
Synonym	4-bromophenylacetonitrile,4-bromobenzyl cyanide,2-4-bromophenyl acetonitrile,benzeneacetonitrile, 4-bromo,p-bromophenylacetonitrile,4-bromobenzylcyanide,4-bromobenzeneacetonitrile,p-bromobenzyl cyanide,p-bromobenzylcyanide,acetonitrile, p-bromophenyl
IUPAC Name	2-(4-bromophenyl)acetonitrile
InChI Key	MFHFWRBXPQDZSA-UHFFFAOYSA-N
Molecular Formula	C8H6BrN

1,735

[3-(1-Methyl-1H-pyrazol-3-yl)phenyl]methanol, 90%, Thermo Scientific™

CAS: 910037-09-1 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD09065007 InChI Key: IFFXGZCJGGVFOF-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-3-yl phenyl methanol,3-1-methylpyrazol-3-yl phenyl methanol,3-1-methylpyrazol-3-yl phenyl methan-1-ol PubChem CID: 24229630 IUPAC Name: [3-(1-methylpyrazol-3-yl)phenyl]methanol SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)CO

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Specifications

PubChem CID	24229630
CAS	910037-09-1
Molecular Weight (g/mol)	188.23
MDL Number	MFCD09065007
SMILES	CN1C=CC(=N1)C2=CC(=CC=C2)CO
Synonym	3-1-methyl-1h-pyrazol-3-yl phenyl methanol,3-1-methylpyrazol-3-yl phenyl methanol,3-1-methylpyrazol-3-yl phenyl methan-1-ol
IUPAC Name	[3-(1-methylpyrazol-3-yl)phenyl]methanol
InChI Key	IFFXGZCJGGVFOF-UHFFFAOYSA-N
Molecular Formula	C11H12N2O

1,736

Cumene, 99%, pure

CAS: 98-82-8 Molecular Formula: C₉H₁₂ Molecular Weight (g/mol): 120.19 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

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Specifications

PubChem CID	7406
CAS	98-82-8
Molecular Weight (g/mol)	120.19
ChEBI	CHEBI:34656
MDL Number	MFCD00008881
SMILES	CC(C)C1=CC=CC=C1
Synonym	isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name	cumene
InChI Key	RWGFKTVRMDUZSP-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂

1,737

4-Isopropylaniline, 99%

CAS: 99-88-7 Molecular Formula: C₉H₁₃N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007900 InChI Key: LRTFPLFDLJYEKT-UHFFFAOYSA-N Synonym: 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl PubChem CID: 7464 ChEBI: CHEBI:43405 IUPAC Name: 4-propan-2-ylaniline SMILES: CC(C)C1=CC=C(C=C1)N

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Specifications

PubChem CID	7464
CAS	99-88-7
Molecular Weight (g/mol)	135.21
ChEBI	CHEBI:43405
MDL Number	MFCD00007900
SMILES	CC(C)C1=CC=C(C=C1)N
Synonym	4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl
IUPAC Name	4-propan-2-ylaniline
InChI Key	LRTFPLFDLJYEKT-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃N

1,738

1,3,5-Triisopropylbenzene, 95%

CAS: 717-74-8 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00008890 InChI Key: VUMCUSHVMYIRMB-UHFFFAOYSA-N Synonym: 1,3,5-triisopropylbenzene,2,4,6-triisopropylbenzene,benzene, 1,3,5-tris 1-methylethyl,1,3,5-tris propan-2-yl benzene,unii-fr9y346wpb,benzene, 1,3,5-triisopropyl,fr9y346wpb,benzene, tris 1-methylethyl,pubchem13720,1,5-triisopropylbenzene PubChem CID: 12860 IUPAC Name: 1,3,5-tri(propan-2-yl)benzene SMILES: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C

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Specifications

PubChem CID	12860
CAS	717-74-8
Molecular Weight (g/mol)	204.357
MDL Number	MFCD00008890
SMILES	CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
Synonym	1,3,5-triisopropylbenzene,2,4,6-triisopropylbenzene,benzene, 1,3,5-tris 1-methylethyl,1,3,5-tris propan-2-yl benzene,unii-fr9y346wpb,benzene, 1,3,5-triisopropyl,fr9y346wpb,benzene, tris 1-methylethyl,pubchem13720,1,5-triisopropylbenzene
IUPAC Name	1,3,5-tri(propan-2-yl)benzene
InChI Key	VUMCUSHVMYIRMB-UHFFFAOYSA-N
Molecular Formula	C15H24

1,739

1,3-Diisopropylbenzene, 96%

CAS: 99-62-7 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008889 InChI Key: UNEATYXSUBPPKP-UHFFFAOYSA-N Synonym: 1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352 PubChem CID: 7450 IUPAC Name: 1,3-di(propan-2-yl)benzene SMILES: CC(C)C1=CC(=CC=C1)C(C)C

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Specifications

PubChem CID	7450
CAS	99-62-7
Molecular Weight (g/mol)	162.276
MDL Number	MFCD00008889
SMILES	CC(C)C1=CC(=CC=C1)C(C)C
Synonym	1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352
IUPAC Name	1,3-di(propan-2-yl)benzene
InChI Key	UNEATYXSUBPPKP-UHFFFAOYSA-N
Molecular Formula	C12H18

1,740

2-Isopropylphenyl isothiocyanate, 96%

CAS: 36176-31-5 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00022053 InChI Key: QQOOMDSEMQHMIR-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate PubChem CID: 142052 IUPAC Name: 1-isothiocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=S

Pricing & Availability
Specifications

PubChem CID	142052
CAS	36176-31-5
Molecular Weight (g/mol)	177.265
MDL Number	MFCD00022053
SMILES	CC(C)C1=CC=CC=C1N=C=S
Synonym	2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate
IUPAC Name	1-isothiocyanato-2-propan-2-ylbenzene
InChI Key	QQOOMDSEMQHMIR-UHFFFAOYSA-N
Molecular Formula	C10H11NS

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