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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7,396 – 7,410 of 159,115 results

7,396

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile 98.0+%, TCI America™

CAS: 143782-23-4 Molecular Formula: C9H3F3N2S Molecular Weight (g/mol): 228.192 MDL Number: MFCD09800709 InChI Key: TYXKOMAQTWRDCR-UHFFFAOYSA-N Synonym: 4-Cyano-3-(trifluoromethyl)phenyl Isothiocyanate, Isothiocyanic Acid 4-Cyano-3-(trifluoromethyl)phenyl Ester PubChem CID: 11615540 IUPAC Name: 4-isothiocyanato-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N

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Specifications

PubChem CID	11615540
CAS	143782-23-4
Molecular Weight (g/mol)	228.192
MDL Number	MFCD09800709
SMILES	C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N
Synonym	4-Cyano-3-(trifluoromethyl)phenyl Isothiocyanate, Isothiocyanic Acid 4-Cyano-3-(trifluoromethyl)phenyl Ester
IUPAC Name	4-isothiocyanato-2-(trifluoromethyl)benzonitrile
InChI Key	TYXKOMAQTWRDCR-UHFFFAOYSA-N
Molecular Formula	C9H3F3N2S

7,397

2-Isopropylbenzoic Acid 98.0+%, TCI America™

CAS: 2438-04-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00045836 InChI Key: BANZVKGLDQDFDV-UHFFFAOYSA-N PubChem CID: 17099 IUPAC Name: 2-propan-2-ylbenzoic acid SMILES: CC(C)C1=CC=CC=C1C(=O)O

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Specifications

PubChem CID	17099
CAS	2438-04-2
Molecular Weight (g/mol)	164.20
MDL Number	MFCD00045836
SMILES	CC(C)C1=CC=CC=C1C(=O)O
IUPAC Name	2-propan-2-ylbenzoic acid
InChI Key	BANZVKGLDQDFDV-UHFFFAOYSA-N
Molecular Formula	C10H12O2

7,398

(4S)-(-)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone 98.0+%, TCI America™

CAS: 184346-45-0 Molecular Formula: C18H19NO2 Molecular Weight (g/mol): 281.355 MDL Number: MFCD03093556 InChI Key: PHTOJBANGYSTOH-INIZCTEOSA-N PubChem CID: 9838646 IUPAC Name: (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one SMILES: CC(C)C1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3

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Specifications

PubChem CID	9838646
CAS	184346-45-0
Molecular Weight (g/mol)	281.355
MDL Number	MFCD03093556
SMILES	CC(C)C1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3
IUPAC Name	(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
InChI Key	PHTOJBANGYSTOH-INIZCTEOSA-N
Molecular Formula	C18H19NO2

7,399

N-(tert-Butoxycarbonyl)-1,4-phenylenediamine 95.0+%, TCI America™

CAS: 71026-66-9 Molecular Formula: C11H16N2O2 Molecular Weight (g/mol): 208.261 MDL Number: MFCD00043022 InChI Key: WIVYTYZCVWHWSH-UHFFFAOYSA-N Synonym: tert-butyl 4-aminophenyl carbamate,4-tert-butoxycarbonylamino aniline,tert-butyl 4-aminophenylcarbamate,tert-butyl n-4-aminophenyl carbamate,n-boc-p-phenylenediamine,n-boc-1,4-phenylene diamine,n-boc-1,4-phenylenediamine,4-amino-phenyl-carbamic acid tert-butyl ester,tert-butyl4-aminophenylcarbamate,4-t-butyloxycarbonylamino aniline PubChem CID: 688611 IUPAC Name: tert-butyl N-(4-aminophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)N

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Specifications

PubChem CID	688611
CAS	71026-66-9
Molecular Weight (g/mol)	208.261
MDL Number	MFCD00043022
SMILES	CC(C)(C)OC(=O)NC1=CC=C(C=C1)N
Synonym	tert-butyl 4-aminophenyl carbamate,4-tert-butoxycarbonylamino aniline,tert-butyl 4-aminophenylcarbamate,tert-butyl n-4-aminophenyl carbamate,n-boc-p-phenylenediamine,n-boc-1,4-phenylene diamine,n-boc-1,4-phenylenediamine,4-amino-phenyl-carbamic acid tert-butyl ester,tert-butyl4-aminophenylcarbamate,4-t-butyloxycarbonylamino aniline
IUPAC Name	tert-butyl N-(4-aminophenyl)carbamate
InChI Key	WIVYTYZCVWHWSH-UHFFFAOYSA-N
Molecular Formula	C11H16N2O2

7,400

1-Benzyloxy-3-iodobenzene 97.0+%, TCI America™

CAS: 107623-21-2 Molecular Formula: C13H11IO Molecular Weight (g/mol): 310.13 MDL Number: MFCD01318100 InChI Key: QMKHOPJXDQAHBG-UHFFFAOYSA-N Synonym: 1-benzyloxy-3-iodobenzene,3-iodobenzyloxybenzene,1-benzyloxy-3-iodo-benzene,benzene,1-iodo-3-phenylmethoxy,benzene, 1-iodo-3-phenylmethoxy,pubchem3066,3-benzyloxyiodobenzene,acmc-1c7zz,1-benzyl-oxy-3-iodobenzene PubChem CID: 4228019 IUPAC Name: 1-(benzyloxy)-3-iodobenzene SMILES: IC1=CC=CC(OCC2=CC=CC=C2)=C1

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Specifications

PubChem CID	4228019
CAS	107623-21-2
Molecular Weight (g/mol)	310.13
MDL Number	MFCD01318100
SMILES	IC1=CC=CC(OCC2=CC=CC=C2)=C1
Synonym	1-benzyloxy-3-iodobenzene,3-iodobenzyloxybenzene,1-benzyloxy-3-iodo-benzene,benzene,1-iodo-3-phenylmethoxy,benzene, 1-iodo-3-phenylmethoxy,pubchem3066,3-benzyloxyiodobenzene,acmc-1c7zz,1-benzyl-oxy-3-iodobenzene
IUPAC Name	1-(benzyloxy)-3-iodobenzene
InChI Key	QMKHOPJXDQAHBG-UHFFFAOYSA-N
Molecular Formula	C13H11IO

7,401

1,3-Benzenedithiol 95.0+%, TCI America™

CAS: 626-04-0 Molecular Formula: C6H6S2 Molecular Weight (g/mol): 142.23 MDL Number: MFCD00004842 InChI Key: ZWOASCVFHSYHOB-UHFFFAOYSA-N Synonym: 1,3-benzenedithiol,1,3-dimercaptobenzene,dithioresorcin,dithioresorcinol,1,3-benzedithiol,acmc-20ap5g,ksc357g0j PubChem CID: 522062 IUPAC Name: benzene-1,3-dithiol SMILES: SC1=CC(S)=CC=C1

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Specifications

PubChem CID	522062
CAS	626-04-0
Molecular Weight (g/mol)	142.23
MDL Number	MFCD00004842
SMILES	SC1=CC(S)=CC=C1
Synonym	1,3-benzenedithiol,1,3-dimercaptobenzene,dithioresorcin,dithioresorcinol,1,3-benzedithiol,acmc-20ap5g,ksc357g0j
IUPAC Name	benzene-1,3-dithiol
InChI Key	ZWOASCVFHSYHOB-UHFFFAOYSA-N
Molecular Formula	C6H6S2

7,402

Potassium 6-Hydroxy-2-naphthalenesulfonate 98.0+%, TCI America™

CAS: 833-66-9 Molecular Formula: C10H7KO4S Molecular Weight (g/mol): 262.32 MDL Number: MFCD06797149 InChI Key: PZWWSVPMGHDZNJ-UHFFFAOYSA-M Synonym: 6-Hydroxy-2-naphthalenesulfonic Acid Potassium Salt, 2-Naphthol-6-sulfonic Acid Potassium Salt, Potassium 2-Naphthol-6-sulfonate, Schaeffer′Cs Acid Potassium Salt PubChem CID: 23677963 IUPAC Name: potassium;6-hydroxynaphthalene-2-sulfonate SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[K+]

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Specifications

PubChem CID	23677963
CAS	833-66-9
Molecular Weight (g/mol)	262.32
MDL Number	MFCD06797149
SMILES	C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[K+]
Synonym	6-Hydroxy-2-naphthalenesulfonic Acid Potassium Salt, 2-Naphthol-6-sulfonic Acid Potassium Salt, Potassium 2-Naphthol-6-sulfonate, Schaeffer′Cs Acid Potassium Salt
IUPAC Name	potassium;6-hydroxynaphthalene-2-sulfonate
InChI Key	PZWWSVPMGHDZNJ-UHFFFAOYSA-M
Molecular Formula	C10H7KO4S

7,403

trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one 98.0+%, TCI America™

CAS: 103836-71-1 Molecular Formula: C19H12F6O Molecular Weight (g/mol): 370.294 InChI Key: OIUBVYQZMUKRRF-YDWXAUTNSA-N Synonym: trans,trans-Bis[4-(trifluoromethyl)benzal]acetone, trans,trans-Bis[4-(trifluoromethyl)benzylidene]acetone, trans,trans-Bis[4-(trifluoromethyl)styryl] Ketone PubChem CID: 5373276 IUPAC Name: (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one SMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	5373276
CAS	103836-71-1
Molecular Weight (g/mol)	370.294
SMILES	C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
Synonym	trans,trans-Bis[4-(trifluoromethyl)benzal]acetone, trans,trans-Bis[4-(trifluoromethyl)benzylidene]acetone, trans,trans-Bis[4-(trifluoromethyl)styryl] Ketone
IUPAC Name	(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
InChI Key	OIUBVYQZMUKRRF-YDWXAUTNSA-N
Molecular Formula	C19H12F6O

7,404

3-Bromo-5-nitroanisole 98.0+%, TCI America™

CAS: 16618-67-0 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.033 MDL Number: MFCD04112752 InChI Key: MEQKSFQEPDRNEQ-UHFFFAOYSA-N Synonym: 3-bromo-5-nitroanisole,3-bromo-5-nitroanisol,5-bromo-1-methoxy-3-nitrobenzene,1-bromo-3-methoxy-5-nitro-benzene,benzene, 1-bromo-3-methoxy-5-nitro,pubchem21624,acmc-209dts,3-bromo-5-methoxynitrobenzene,benzene,1-bromo-3-methoxy-5-nitro,3-methoxy-5-nitrophenyl bromide PubChem CID: 12299076 IUPAC Name: 1-bromo-3-methoxy-5-nitrobenzene SMILES: COC1=CC(=CC(=C1)[N+](=O)[O-])Br

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Specifications

PubChem CID	12299076
CAS	16618-67-0
Molecular Weight (g/mol)	232.033
MDL Number	MFCD04112752
SMILES	COC1=CC(=CC(=C1)[N+](=O)[O-])Br
Synonym	3-bromo-5-nitroanisole,3-bromo-5-nitroanisol,5-bromo-1-methoxy-3-nitrobenzene,1-bromo-3-methoxy-5-nitro-benzene,benzene, 1-bromo-3-methoxy-5-nitro,pubchem21624,acmc-209dts,3-bromo-5-methoxynitrobenzene,benzene,1-bromo-3-methoxy-5-nitro,3-methoxy-5-nitrophenyl bromide
IUPAC Name	1-bromo-3-methoxy-5-nitrobenzene
InChI Key	MEQKSFQEPDRNEQ-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3

7,405

3-Nitrosalicylic Acid 98.0+%, TCI America™

CAS: 85-38-1 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00024240 InChI Key: WWWFHFGUOIQNJC-UHFFFAOYSA-N Synonym: 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q PubChem CID: 6807 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O

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PubChem CID	6807
CAS	85-38-1
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00024240
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
Synonym	3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q
InChI Key	WWWFHFGUOIQNJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

7,406

4-(3-Hydroxyphenoxy)benzoic Acid 99.0+%, TCI America™

CAS: 56183-35-8 Molecular Formula: C13H10O4 Molecular Weight (g/mol): 230.219 MDL Number: MFCD00059644 InChI Key: DEDKCEDXZJIDKZ-UHFFFAOYSA-N PubChem CID: 615389 IUPAC Name: 4-(3-hydroxyphenoxy)benzoic acid SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)O)O

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Specifications

PubChem CID	615389
CAS	56183-35-8
Molecular Weight (g/mol)	230.219
MDL Number	MFCD00059644
SMILES	C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)O)O
IUPAC Name	4-(3-hydroxyphenoxy)benzoic acid
InChI Key	DEDKCEDXZJIDKZ-UHFFFAOYSA-N
Molecular Formula	C13H10O4

7,407

2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole 98.0+%, TCI America™

CAS: 3147-75-9 Molecular Formula: C20H25N3O Molecular Weight (g/mol): 323.44 MDL Number: MFCD00013338 InChI Key: IYAZLDLPUNDVAG-UHFFFAOYSA-N PubChem CID: 62485 IUPAC Name: 2-(2H-1,2,3-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(O)C(=C1)N1N=C2C=CC=CC2=N1

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Specifications

PubChem CID	62485
CAS	3147-75-9
Molecular Weight (g/mol)	323.44
MDL Number	MFCD00013338
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(O)C(=C1)N1N=C2C=CC=CC2=N1
IUPAC Name	2-(2H-1,2,3-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI Key	IYAZLDLPUNDVAG-UHFFFAOYSA-N
Molecular Formula	C20H25N3O

7,408

2-Hydroxy-3-methoxybenzyl Alcohol 98.0+%, TCI America™

CAS: 4383-05-5 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00008362 InChI Key: OSZHSESNQIMXMZ-UHFFFAOYSA-N Synonym: 2-(Hydroxymethyl)-6-methoxyphenol, 2-Hydroxy-3-(hydroxymethyl)anisole PubChem CID: 78088 IUPAC Name: 2-(hydroxymethyl)-6-methoxyphenol SMILES: COC1=CC=CC(=C1O)CO

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Specifications

PubChem CID	78088
CAS	4383-05-5
Molecular Weight (g/mol)	154.17
MDL Number	MFCD00008362
SMILES	COC1=CC=CC(=C1O)CO
Synonym	2-(Hydroxymethyl)-6-methoxyphenol, 2-Hydroxy-3-(hydroxymethyl)anisole
IUPAC Name	2-(hydroxymethyl)-6-methoxyphenol
InChI Key	OSZHSESNQIMXMZ-UHFFFAOYSA-N
Molecular Formula	C8H10O3

7,409

3-Hydroxy-2-naphthoic Acid 2-Chloroanilide 98.0+%, TCI America™

CAS: 6704-40-1 Molecular Formula: C17H12ClNO2 Molecular Weight (g/mol): 297.738 MDL Number: MFCD00191652 InChI Key: KLNUTTQQHSRBIE-UHFFFAOYSA-N Synonym: N-(2-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide, 2-Hydroxy-3-naphthoic Acid 2-Chlorophenylamide PubChem CID: 598489 IUPAC Name: N-(2-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC=C3Cl)O

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Specifications

PubChem CID	598489
CAS	6704-40-1
Molecular Weight (g/mol)	297.738
MDL Number	MFCD00191652
SMILES	C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC=C3Cl)O
Synonym	N-(2-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide, 2-Hydroxy-3-naphthoic Acid 2-Chlorophenylamide
IUPAC Name	N-(2-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
InChI Key	KLNUTTQQHSRBIE-UHFFFAOYSA-N
Molecular Formula	C17H12ClNO2

7,410

Hexaphenoxycyclotriphosphazene 98.0+%, TCI America™

CAS: 1184-10-7 Molecular Formula: C36H30N3O6P3 Molecular Weight (g/mol): 693.572 MDL Number: MFCD00183774 InChI Key: RNFJDJUURJAICM-UHFFFAOYSA-N PubChem CID: 136917 IUPAC Name: 2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene SMILES: C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7

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Specifications

PubChem CID	136917
CAS	1184-10-7
Molecular Weight (g/mol)	693.572
MDL Number	MFCD00183774
SMILES	C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7
IUPAC Name	2,2,4,4,6,6-hexaphenoxy-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene
InChI Key	RNFJDJUURJAICM-UHFFFAOYSA-N
Molecular Formula	C36H30N3O6P3

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