Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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6,841 – 6,855 of 114,994 results

6,841

2-Chloro-5-(trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™

CAS: 50528-86-4 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.563 MDL Number: MFCD00037029 InChI Key: WEPYOPYMWSHRIW-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol PubChem CID: 2733263 IUPAC Name: 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl

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PubChem CID	2733263
CAS	50528-86-4
Molecular Weight (g/mol)	221.563
MDL Number	MFCD00037029
SMILES	C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl
Synonym	2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol
IUPAC Name	1-chloro-2-isocyanato-4-(trifluoromethyl)benzene
InChI Key	WEPYOPYMWSHRIW-UHFFFAOYSA-N
Molecular Formula	C8H3ClF3NO

6,842

2-[2-(Trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 98.0+%, TCI America™

CAS: 1073339-21-5 Molecular Formula: C13H16BF3O2 Molecular Weight (g/mol): 272.074 MDL Number: MFCD06795676 InChI Key: HBQNDHPCMDZKNT-UHFFFAOYSA-N Synonym: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene PubChem CID: 17750282 IUPAC Name: 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F

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Specifications

PubChem CID	17750282
CAS	1073339-21-5
Molecular Weight (g/mol)	272.074
MDL Number	MFCD06795676
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(F)(F)F
Synonym	2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoromethyl)benzene
IUPAC Name	4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
InChI Key	HBQNDHPCMDZKNT-UHFFFAOYSA-N
Molecular Formula	C13H16BF3O2

6,843

3-Chlorobenzyl Bromide 95.0+%, TCI America™

CAS: 766-80-3 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00000597 InChI Key: LZIYAIRGDHSVED-UHFFFAOYSA-N Synonym: 3-chlorobenzyl bromide,1-bromomethyl-3-chlorobenzene,3-chlorobenzylbromide,alpha-bromo-3-chlorotoluene,m-chlorobenzyl bromide,benzene, 1-bromomethyl-3-chloro,alpha-bromo-m-chlorotoluene,.alpha.-bromo-m-chlorotoluene,1-bromomethyl-3-chloro-benzene,3-chorobenzylbromide PubChem CID: 69838 IUPAC Name: 1-(bromomethyl)-3-chlorobenzene SMILES: ClC1=CC=CC(CBr)=C1

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PubChem CID	69838
CAS	766-80-3
Molecular Weight (g/mol)	205.48
MDL Number	MFCD00000597
SMILES	ClC1=CC=CC(CBr)=C1
Synonym	3-chlorobenzyl bromide,1-bromomethyl-3-chlorobenzene,3-chlorobenzylbromide,alpha-bromo-3-chlorotoluene,m-chlorobenzyl bromide,benzene, 1-bromomethyl-3-chloro,alpha-bromo-m-chlorotoluene,.alpha.-bromo-m-chlorotoluene,1-bromomethyl-3-chloro-benzene,3-chorobenzylbromide
IUPAC Name	1-(bromomethyl)-3-chlorobenzene
InChI Key	LZIYAIRGDHSVED-UHFFFAOYSA-N
Molecular Formula	C7H6BrCl

6,844

2-(3-Methoxyphenethyl)phenol 98.0+%, TCI America™

CAS: 167145-13-3 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.291 MDL Number: MFCD09800498 InChI Key: HGQQRAXOBYWKDV-UHFFFAOYSA-N Synonym: 2-[2-(3-Methoxyphenyl)ethyl]phenol PubChem CID: 10585448 IUPAC Name: 2-[2-(3-methoxyphenyl)ethyl]phenol SMILES: COC1=CC=CC(=C1)CCC2=CC=CC=C2O

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Specifications

PubChem CID	10585448
CAS	167145-13-3
Molecular Weight (g/mol)	228.291
MDL Number	MFCD09800498
SMILES	COC1=CC=CC(=C1)CCC2=CC=CC=C2O
Synonym	2-[2-(3-Methoxyphenyl)ethyl]phenol
IUPAC Name	2-[2-(3-methoxyphenyl)ethyl]phenol
InChI Key	HGQQRAXOBYWKDV-UHFFFAOYSA-N
Molecular Formula	C15H16O2

6,845

2,2'-Ethylenedioxydiphenol 98.0+%, TCI America™

CAS: 20115-81-5 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00441177 InChI Key: PRYNAEBLJBDWPF-UHFFFAOYSA-N Synonym: 1,2-Bis(2-hydroxyphenoxy)ethane, Ethylene Glycol Bis(2-hydroxyphenyl) Ether PubChem CID: 5171332 IUPAC Name: 2-[2-(2-hydroxyphenoxy)ethoxy]phenol SMILES: C1=CC=C(C(=C1)O)OCCOC2=CC=CC=C2O

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Specifications

PubChem CID	5171332
CAS	20115-81-5
Molecular Weight (g/mol)	246.262
MDL Number	MFCD00441177
SMILES	C1=CC=C(C(=C1)O)OCCOC2=CC=CC=C2O
Synonym	1,2-Bis(2-hydroxyphenoxy)ethane, Ethylene Glycol Bis(2-hydroxyphenyl) Ether
IUPAC Name	2-[2-(2-hydroxyphenoxy)ethoxy]phenol
InChI Key	PRYNAEBLJBDWPF-UHFFFAOYSA-N
Molecular Formula	C14H14O4

6,846

3-Butoxyphenol 96.0+%, TCI America™

CAS: 18979-72-1 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00058976 InChI Key: VGIJZDWQVCXVNL-UHFFFAOYSA-N Synonym: Resorcinol Monobutyl Ether PubChem CID: 87876 IUPAC Name: 3-butoxyphenol SMILES: CCCCOC1=CC=CC(=C1)O

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Specifications

PubChem CID	87876
CAS	18979-72-1
Molecular Weight (g/mol)	166.22
MDL Number	MFCD00058976
SMILES	CCCCOC1=CC=CC(=C1)O
Synonym	Resorcinol Monobutyl Ether
IUPAC Name	3-butoxyphenol
InChI Key	VGIJZDWQVCXVNL-UHFFFAOYSA-N
Molecular Formula	C10H14O2

6,847

(S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane 98.0+%, TCI America™

CAS: 16495-03-7 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.284 MDL Number: MFCD00043000 InChI Key: DBFDSKSLTCMIPB-LBPRGKRZSA-N PubChem CID: 10878747 IUPAC Name: (4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane SMILES: CC1(OCC(O1)COCC2=CC=CC=C2)C

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Specifications

PubChem CID	10878747
CAS	16495-03-7
Molecular Weight (g/mol)	222.284
MDL Number	MFCD00043000
SMILES	CC1(OCC(O1)COCC2=CC=CC=C2)C
IUPAC Name	(4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane
InChI Key	DBFDSKSLTCMIPB-LBPRGKRZSA-N
Molecular Formula	C13H18O3

6,848

3-Benzyloxyphenylacetonitrile 98.0+%, TCI America™

CAS: 20967-96-8 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.28 MDL Number: MFCD00016396 InChI Key: CKZFVIPFANUBDW-UHFFFAOYSA-N Synonym: 3-benzyloxyphenylacetonitrile,2-3-benzyloxy phenyl acetonitrile,3-benzyloxybenzyl cyanide,2-3-phenylmethoxyphenyl acetonitrile,2-3-phenylmethoxy phenyl ethanenitrile,maybridge3_000453,3-benzyloxyphenyl acetonitrile,3-benzyloxy-phenyl acetonitrile,3-benzyloxyphenyl-acetonitrile PubChem CID: 519831 IUPAC Name: 2-[3-(benzyloxy)phenyl]acetonitrile SMILES: N#CCC1=CC(OCC2=CC=CC=C2)=CC=C1

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Specifications

PubChem CID	519831
CAS	20967-96-8
Molecular Weight (g/mol)	223.28
MDL Number	MFCD00016396
SMILES	N#CCC1=CC(OCC2=CC=CC=C2)=CC=C1
Synonym	3-benzyloxyphenylacetonitrile,2-3-benzyloxy phenyl acetonitrile,3-benzyloxybenzyl cyanide,2-3-phenylmethoxyphenyl acetonitrile,2-3-phenylmethoxy phenyl ethanenitrile,maybridge3_000453,3-benzyloxyphenyl acetonitrile,3-benzyloxy-phenyl acetonitrile,3-benzyloxyphenyl-acetonitrile
IUPAC Name	2-[3-(benzyloxy)phenyl]acetonitrile
InChI Key	CKZFVIPFANUBDW-UHFFFAOYSA-N
Molecular Formula	C15H13NO

6,849

3-Methoxyphenylacetonitrile 98.0+%, TCI America™

CAS: 19924-43-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001910 InChI Key: LXKNAUOWEJWGTE-UHFFFAOYSA-N Synonym: 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile PubChem CID: 88310 IUPAC Name: 2-(3-methoxyphenyl)acetonitrile SMILES: COC1=CC=CC(=C1)CC#N

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PubChem CID	88310
CAS	19924-43-7
Molecular Weight (g/mol)	147.177
MDL Number	MFCD00001910
SMILES	COC1=CC=CC(=C1)CC#N
Synonym	3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile
IUPAC Name	2-(3-methoxyphenyl)acetonitrile
InChI Key	LXKNAUOWEJWGTE-UHFFFAOYSA-N
Molecular Formula	C9H9NO

6,850

3,5-Difluorobenzyl Bromide 98.0+%, TCI America™

CAS: 141776-91-2 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00010304 InChI Key: KVSVNRFSKRFPIL-UHFFFAOYSA-N Synonym: 3,5-difluorobenzyl bromide,1-bromomethyl-3,5-difluorobenzene,3,5-difluorobenzylbromide,alpha-bromo-3,5-difluorotoluene,3,5-difluoro benzyl bromide,3,5-bifluorobenzyl bromide,1-bromomethyl-3,5-difluoro-benzene,benzene, 1-bromomethyl-3,5-difluoro,5-bromomethyl-1,3-difluorobenzene,pubchem2245 PubChem CID: 518896 IUPAC Name: 1-(bromomethyl)-3,5-difluorobenzene SMILES: FC1=CC(CBr)=CC(F)=C1

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PubChem CID	518896
CAS	141776-91-2
Molecular Weight (g/mol)	207.02
MDL Number	MFCD00010304
SMILES	FC1=CC(CBr)=CC(F)=C1
Synonym	3,5-difluorobenzyl bromide,1-bromomethyl-3,5-difluorobenzene,3,5-difluorobenzylbromide,alpha-bromo-3,5-difluorotoluene,3,5-difluoro benzyl bromide,3,5-bifluorobenzyl bromide,1-bromomethyl-3,5-difluoro-benzene,benzene, 1-bromomethyl-3,5-difluoro,5-bromomethyl-1,3-difluorobenzene,pubchem2245
IUPAC Name	1-(bromomethyl)-3,5-difluorobenzene
InChI Key	KVSVNRFSKRFPIL-UHFFFAOYSA-N
Molecular Formula	C7H5BrF2

6,851

2-Chloro-4-fluorobenzyl Alcohol 98.0+%, TCI America™

CAS: 208186-84-9 Molecular Formula: C7H6ClFO Molecular Weight (g/mol): 160.572 MDL Number: MFCD00236024 InChI Key: ZUHMDLLAHZUDRE-UHFFFAOYSA-N PubChem CID: 4982711 IUPAC Name: (2-chloro-4-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1F)Cl)CO

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Specifications

PubChem CID	4982711
CAS	208186-84-9
Molecular Weight (g/mol)	160.572
MDL Number	MFCD00236024
SMILES	C1=CC(=C(C=C1F)Cl)CO
IUPAC Name	(2-chloro-4-fluorophenyl)methanol
InChI Key	ZUHMDLLAHZUDRE-UHFFFAOYSA-N
Molecular Formula	C7H6ClFO

6,852

2-Chloro-5-nitrobenzyl Alcohol 98.0+%, TCI America™

CAS: 80866-80-4 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.579 MDL Number: MFCD00007297 InChI Key: NNLQYDLTFRXAKD-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrophenyl methanol,2-chloro-5-nitrobenzyl alcohol,2-chloro-5-nitrobenzylalcohol,benzenemethanol, 2-chloro-5-nitro,acmc-1bkf2,nnlqydltfrxakd-uhfffaoysa,benzenemethanol,2-chloro-5-nitro,2-chloro-5-nitro-phenyl-methanol,2-chloro-5-nitrophenyl methanol #,2-chloro-5-nitrophenyl methan-1-ol PubChem CID: 555722 IUPAC Name: (2-chloro-5-nitrophenyl)methanol SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CO)Cl

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PubChem CID	555722
CAS	80866-80-4
Molecular Weight (g/mol)	187.579
MDL Number	MFCD00007297
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])CO)Cl
Synonym	2-chloro-5-nitrophenyl methanol,2-chloro-5-nitrobenzyl alcohol,2-chloro-5-nitrobenzylalcohol,benzenemethanol, 2-chloro-5-nitro,acmc-1bkf2,nnlqydltfrxakd-uhfffaoysa,benzenemethanol,2-chloro-5-nitro,2-chloro-5-nitro-phenyl-methanol,2-chloro-5-nitrophenyl methanol #,2-chloro-5-nitrophenyl methan-1-ol
IUPAC Name	(2-chloro-5-nitrophenyl)methanol
InChI Key	NNLQYDLTFRXAKD-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO3

6,853

2-Nitrobenzyl Alcohol 98.0+%, TCI America™

CAS: 612-25-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007186 InChI Key: BWRBVBFLFQKBPT-UHFFFAOYSA-N Synonym: 2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol PubChem CID: 11923 IUPAC Name: (2-nitrophenyl)methanol SMILES: OCC1=CC=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	11923
CAS	612-25-9
Molecular Weight (g/mol)	153.14
MDL Number	MFCD00007186
SMILES	OCC1=CC=CC=C1[N+]([O-])=O
Synonym	2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol
IUPAC Name	(2-nitrophenyl)methanol
InChI Key	BWRBVBFLFQKBPT-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

6,854

Benzaldehyde Diethyl Acetal 98.0+%, TCI America™

CAS: 774-48-1 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.247 MDL Number: MFCD00038525 InChI Key: MAQMEXSLUSZDQM-UHFFFAOYSA-N Synonym: alpha,alpha-Diethoxytoluene PubChem CID: 69884 IUPAC Name: diethoxymethylbenzene SMILES: CCOC(C1=CC=CC=C1)OCC

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Specifications

PubChem CID	69884
CAS	774-48-1
Molecular Weight (g/mol)	180.247
MDL Number	MFCD00038525
SMILES	CCOC(C1=CC=CC=C1)OCC
Synonym	alpha,alpha-Diethoxytoluene
IUPAC Name	diethoxymethylbenzene
InChI Key	MAQMEXSLUSZDQM-UHFFFAOYSA-N
Molecular Formula	C11H16O2

6,855

2,4-Difluorobenzyl Bromide 98.0+%, TCI America™

CAS: 23915-07-3 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.018 MDL Number: MFCD00011649 InChI Key: IBLMYGXJKQIGSN-UHFFFAOYSA-N Synonym: 2,4-difluorobenzyl bromide,1-bromomethyl-2,4-difluorobenzene,2,4-difluorobenzylbromide,alpha-bromo-2,4-difluorotoluene,benzene, 1-bromomethyl-2,4-difluoro,2,4-difluoro benzyl bromide,1-bromomethyl-2,4-difluoro-benzene,2-chloromethyl quinoline hcl salt,fr cf d1e,pubchem4911 PubChem CID: 90297 IUPAC Name: 1-(bromomethyl)-2,4-difluorobenzene SMILES: C1=CC(=C(C=C1F)F)CBr

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Specifications

PubChem CID	90297
CAS	23915-07-3
Molecular Weight (g/mol)	207.018
MDL Number	MFCD00011649
SMILES	C1=CC(=C(C=C1F)F)CBr
Synonym	2,4-difluorobenzyl bromide,1-bromomethyl-2,4-difluorobenzene,2,4-difluorobenzylbromide,alpha-bromo-2,4-difluorotoluene,benzene, 1-bromomethyl-2,4-difluoro,2,4-difluoro benzyl bromide,1-bromomethyl-2,4-difluoro-benzene,2-chloromethyl quinoline hcl salt,fr cf d1e,pubchem4911
IUPAC Name	1-(bromomethyl)-2,4-difluorobenzene
InChI Key	IBLMYGXJKQIGSN-UHFFFAOYSA-N
Molecular Formula	C7H5BrF2

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