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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5,071 – 5,085 of 69,577 results

5,071

(4-Nitrophenyl)thiourea 98.0+%, TCI America™

CAS: 3696-22-8 Molecular Formula: C7H7N3O2S Molecular Weight (g/mol): 197.21 MDL Number: MFCD00007304 InChI Key: BLYAANPIHFKKMQ-UHFFFAOYSA-N Synonym: 1-4-nitrophenyl-2-thiourea,n-4-nitrophenyl thiourea,4-nitrophenyl thiourea,1-4-nitrophenyl thiourea,p-nitrophenyl thiourea,thiourea, 4-nitrophenyl,n-p-nitrophenyl thiourea,acmc-1cny6,4-nitro-phenyl-thiourea,n-4-nitrophenyl thiourea # PubChem CID: 2760234 IUPAC Name: (4-nitrophenyl)thiourea SMILES: NC(=S)NC1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	2760234
CAS	3696-22-8
Molecular Weight (g/mol)	197.21
MDL Number	MFCD00007304
SMILES	NC(=S)NC1=CC=C(C=C1)[N+]([O-])=O
Synonym	1-4-nitrophenyl-2-thiourea,n-4-nitrophenyl thiourea,4-nitrophenyl thiourea,1-4-nitrophenyl thiourea,p-nitrophenyl thiourea,thiourea, 4-nitrophenyl,n-p-nitrophenyl thiourea,acmc-1cny6,4-nitro-phenyl-thiourea,n-4-nitrophenyl thiourea #
IUPAC Name	(4-nitrophenyl)thiourea
InChI Key	BLYAANPIHFKKMQ-UHFFFAOYSA-N
Molecular Formula	C7H7N3O2S

5,072

4-(trans-4-Propylcyclohexyl)phenol 98.0+%, TCI America™

CAS: 81936-33-6 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00673751 InChI Key: AHAZEMSUUYFDMM-UHFFFAOYSA-N Synonym: 1-Hydroxy-4-(trans-4-propylcyclohexyl)benzene PubChem CID: 3126231 IUPAC Name: 4-(4-propylcyclohexyl)phenol SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)O

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Specifications

PubChem CID	3126231
CAS	81936-33-6
Molecular Weight (g/mol)	218.34
MDL Number	MFCD00673751
SMILES	CCCC1CCC(CC1)C2=CC=C(C=C2)O
Synonym	1-Hydroxy-4-(trans-4-propylcyclohexyl)benzene
IUPAC Name	4-(4-propylcyclohexyl)phenol
InChI Key	AHAZEMSUUYFDMM-UHFFFAOYSA-N
Molecular Formula	C15H22O

5,073

Tetrabutylammonium p-Nitrophenoxide 98.0+%, TCI America™

CAS: 3002-48-0 Molecular Formula: C22H40N2O3 Molecular Weight (g/mol): 380.573 InChI Key: JWRHOHUAHHYNBL-UHFFFAOYSA-M PubChem CID: 18148 IUPAC Name: 4-nitrophenolate;tetrabutylazanium SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1[N+](=O)[O-])[O-]

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Specifications

PubChem CID	18148
CAS	3002-48-0
Molecular Weight (g/mol)	380.573
SMILES	CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1[N+](=O)[O-])[O-]
IUPAC Name	4-nitrophenolate;tetrabutylazanium
InChI Key	JWRHOHUAHHYNBL-UHFFFAOYSA-M
Molecular Formula	C22H40N2O3

5,074

2-Nitrophenol Sodium Salt 99.0+%, TCI America™

CAS: 824-39-5 Molecular Formula: C6H4NNaO3 Molecular Weight (g/mol): 161.092 MDL Number: MFCD00065178 InChI Key: AXKBOWBNOCUNJL-UHFFFAOYSA-M Synonym: Sodium 2-Nitrophenol PubChem CID: 69985 IUPAC Name: sodium;2-nitrophenolate SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]

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Specifications

PubChem CID	69985
CAS	824-39-5
Molecular Weight (g/mol)	161.092
MDL Number	MFCD00065178
SMILES	C1=CC=C(C(=C1)[N+](=O)[O-])[O-].[Na+]
Synonym	Sodium 2-Nitrophenol
IUPAC Name	sodium;2-nitrophenolate
InChI Key	AXKBOWBNOCUNJL-UHFFFAOYSA-M
Molecular Formula	C6H4NNaO3

5,075

Benzyltrimethylammonium Tribromide 97.0+%, TCI America™

CAS: 111865-47-5 Molecular Formula: C10H17Br3N+ Molecular Weight (g/mol): 390.965 MDL Number: MFCD00134423 InChI Key: GSDDWZVWOXMLJZ-UHFFFAOYSA-N Synonym: benzyltrimethylammonium tribromide PubChem CID: 86222689 IUPAC Name: benzyl(trimethyl)azanium;molecular bromine;hydrobromide SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr

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Specifications

PubChem CID	86222689
CAS	111865-47-5
Molecular Weight (g/mol)	390.965
MDL Number	MFCD00134423
SMILES	C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr
Synonym	benzyltrimethylammonium tribromide
IUPAC Name	benzyl(trimethyl)azanium;molecular bromine;hydrobromide
InChI Key	GSDDWZVWOXMLJZ-UHFFFAOYSA-N
Molecular Formula	C10H17Br3N+

5,076

1-(2,3,4-Trimethoxybenzyl)piperazine Dihydrochloride 98.0+%, TCI America™

CAS: 13171-25-0 Molecular Formula: C14H24Cl2N2O3 Molecular Weight (g/mol): 339.257 MDL Number: MFCD00243086 InChI Key: VYFLPFGUVGMBEP-UHFFFAOYSA-N Synonym: trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl PubChem CID: 83201 IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride SMILES: COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl

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Specifications

PubChem CID	83201
CAS	13171-25-0
Molecular Weight (g/mol)	339.257
MDL Number	MFCD00243086
SMILES	COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl
Synonym	trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl
IUPAC Name	1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride
InChI Key	VYFLPFGUVGMBEP-UHFFFAOYSA-N
Molecular Formula	C14H24Cl2N2O3

5,077

Tribenzylamine 99.0+%, TCI America™

CAS: 620-40-6 Molecular Formula: C21H21N Molecular Weight (g/mol): 287.41 MDL Number: MFCD00004773 InChI Key: MXHTZQSKTCCMFG-UHFFFAOYSA-N Synonym: tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 PubChem CID: 24321 IUPAC Name: tribenzylamine SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	24321
CAS	620-40-6
Molecular Weight (g/mol)	287.41
MDL Number	MFCD00004773
SMILES	C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
Synonym	tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052
IUPAC Name	tribenzylamine
InChI Key	MXHTZQSKTCCMFG-UHFFFAOYSA-N
Molecular Formula	C21H21N

5,078

4-Phenoxybenzophenone 95.0+%, TCI America™

CAS: 6317-73-3 Molecular Formula: C19H14O2 Molecular Weight (g/mol): 274.319 MDL Number: MFCD00017553 InChI Key: ITVUPWDTDWMACZ-UHFFFAOYSA-N Synonym: 4-phenoxybenzophenone,4-phenoxyphenyl phenyl methanone,unii-1oh6xt406c,4-phenoxyphenyl-phenylmethanone,p-phenoxybenzophenone,4-phenoxy benzophenone,4-benzoyldiphenyl ether,acmc-209ndn,benzophenone, 4-phenoxy,phenyl 4-phenoxyphenyl ketone PubChem CID: 238623 IUPAC Name: (4-phenoxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

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Specifications

PubChem CID	238623
CAS	6317-73-3
Molecular Weight (g/mol)	274.319
MDL Number	MFCD00017553
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
Synonym	4-phenoxybenzophenone,4-phenoxyphenyl phenyl methanone,unii-1oh6xt406c,4-phenoxyphenyl-phenylmethanone,p-phenoxybenzophenone,4-phenoxy benzophenone,4-benzoyldiphenyl ether,acmc-209ndn,benzophenone, 4-phenoxy,phenyl 4-phenoxyphenyl ketone
IUPAC Name	(4-phenoxyphenyl)-phenylmethanone
InChI Key	ITVUPWDTDWMACZ-UHFFFAOYSA-N
Molecular Formula	C19H14O2

5,079

4-Nitrobenzophenone 99.0+%, TCI America™

CAS: 1144-74-7 Molecular Formula: C13H9NO3 Molecular Weight (g/mol): 227.22 MDL Number: MFCD00007354 InChI Key: ZYMCBJWUWHHVRX-UHFFFAOYSA-N Synonym: 4-nitrobenzophenone,p-nitrobenzophenone,4-nitrophenyl phenyl methanone,benzophenone, 4-nitro,methanone, 4-nitrophenyl phenyl,4-nitrophenyl phenyl ketone,4-nitrophenyl-phenylmethanone,4-nitrophenyl-phenyl-methanone,4-nitro-benzophenone PubChem CID: 70839 IUPAC Name: (4-nitrophenyl)(phenyl)methanone SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	70839
CAS	1144-74-7
Molecular Weight (g/mol)	227.22
MDL Number	MFCD00007354
SMILES	[O-][N+](=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1
Synonym	4-nitrobenzophenone,p-nitrobenzophenone,4-nitrophenyl phenyl methanone,benzophenone, 4-nitro,methanone, 4-nitrophenyl phenyl,4-nitrophenyl phenyl ketone,4-nitrophenyl-phenylmethanone,4-nitrophenyl-phenyl-methanone,4-nitro-benzophenone
IUPAC Name	(4-nitrophenyl)(phenyl)methanone
InChI Key	ZYMCBJWUWHHVRX-UHFFFAOYSA-N
Molecular Formula	C13H9NO3

5,080

2,4,5-Trimethylbenzophenone 95.0+%, TCI America™

CAS: 52890-52-5 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 InChI Key: FTPZYWUJDVZEIE-UHFFFAOYSA-N PubChem CID: 14907151 IUPAC Name: phenyl-(2,4,5-trimethylphenyl)methanone SMILES: CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)C)C

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Specifications

PubChem CID	14907151
CAS	52890-52-5
Molecular Weight (g/mol)	224.303
SMILES	CC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)C)C
IUPAC Name	phenyl-(2,4,5-trimethylphenyl)methanone
InChI Key	FTPZYWUJDVZEIE-UHFFFAOYSA-N
Molecular Formula	C16H16O

5,081

Nepafenac 98.0+%, TCI America™

CAS: 78281-72-8 Molecular Formula: C15H14N2O2 Molecular Weight (g/mol): 254.29 MDL Number: MFCD08067732 InChI Key: QEFAQIPZVLVERP-UHFFFAOYSA-N Synonym: 2-Amino-3-benzoylbenzeneacetamide, 2-(2-Amino-3-benzoylphenyl)acetamide PubChem CID: 151075 ChEBI: CHEBI:75922 IUPAC Name: 2-(2-amino-3-benzoylphenyl)acetamide SMILES: NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N

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Specifications

PubChem CID	151075
CAS	78281-72-8
Molecular Weight (g/mol)	254.29
ChEBI	CHEBI:75922
MDL Number	MFCD08067732
SMILES	NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N
Synonym	2-Amino-3-benzoylbenzeneacetamide, 2-(2-Amino-3-benzoylphenyl)acetamide
IUPAC Name	2-(2-amino-3-benzoylphenyl)acetamide
InChI Key	QEFAQIPZVLVERP-UHFFFAOYSA-N
Molecular Formula	C15H14N2O2

5,082

2,2',4,4'-Tetramethylbenzophenone 96.0+%, TCI America™

CAS: 3478-88-4 Molecular Formula: C17H18O Molecular Weight (g/mol): 238.33 MDL Number: MFCD00060094 InChI Key: KFNQSAKXSGGDAA-UHFFFAOYSA-N PubChem CID: 12274022 IUPAC Name: bis(2,4-dimethylphenyl)methanone SMILES: CC1=CC(C)=C(C=C1)C(=O)C1=C(C)C=C(C)C=C1

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Specifications

PubChem CID	12274022
CAS	3478-88-4
Molecular Weight (g/mol)	238.33
MDL Number	MFCD00060094
SMILES	CC1=CC(C)=C(C=C1)C(=O)C1=C(C)C=C(C)C=C1
IUPAC Name	bis(2,4-dimethylphenyl)methanone
InChI Key	KFNQSAKXSGGDAA-UHFFFAOYSA-N
Molecular Formula	C17H18O

5,083

2,4,4'-Trihydroxybenzophenone 98.0+%, TCI America™

CAS: 1470-79-7 Molecular Formula: C13H10O4 Molecular Weight (g/mol): 230.22 MDL Number: MFCD00002356 InChI Key: OKJFKPFBSPZTAH-UHFFFAOYSA-N Synonym: 2,4,4'-trihydroxybenzophenone,2,4-dihydroxyphenyl 4-hydroxyphenyl methanone,benzophenone, 2,4,4'-trihydroxy,unii-qp9121ig2s,methanone, 2,4-dihydroxyphenyl 4-hydroxyphenyl,2,4-dihydroxyphenyl p-hydroxybenzyl ketone,2,4-dihydroxyphenyl-4-hydroxyphenyl methanone,2,4-dihydroxy-phenyl-4-hydroxy-phenyl-methanone,dsstox_cid_24836,dsstox_rid_80517 PubChem CID: 73852 IUPAC Name: 4-(4-hydroxybenzoyl)benzene-1,3-diol SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1O

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Specifications

PubChem CID	73852
CAS	1470-79-7
Molecular Weight (g/mol)	230.22
MDL Number	MFCD00002356
SMILES	OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1O
Synonym	2,4,4'-trihydroxybenzophenone,2,4-dihydroxyphenyl 4-hydroxyphenyl methanone,benzophenone, 2,4,4'-trihydroxy,unii-qp9121ig2s,methanone, 2,4-dihydroxyphenyl 4-hydroxyphenyl,2,4-dihydroxyphenyl p-hydroxybenzyl ketone,2,4-dihydroxyphenyl-4-hydroxyphenyl methanone,2,4-dihydroxy-phenyl-4-hydroxy-phenyl-methanone,dsstox_cid_24836,dsstox_rid_80517
IUPAC Name	4-(4-hydroxybenzoyl)benzene-1,3-diol
InChI Key	OKJFKPFBSPZTAH-UHFFFAOYSA-N
Molecular Formula	C13H10O4

5,084

4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione 98.0+%, TCI America™

CAS: 893-33-4 Molecular Formula: C14H9F3O2 Molecular Weight (g/mol): 266.219 MDL Number: MFCD00054501 InChI Key: WVVLURYIQCXPIV-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t PubChem CID: 70179 IUPAC Name: 4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F

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Specifications

PubChem CID	70179
CAS	893-33-4
Molecular Weight (g/mol)	266.219
MDL Number	MFCD00054501
SMILES	C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)C(F)(F)F
Synonym	4,4,4-trifluoro-1-naphthalen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-naphthyl-1,3-butanedione,1-2-naphthoyl-3,3,3-trifluoroacetone,4,4,4-trifluoro-1-2-naphthyl butane-1,3-dione,3-2-naphthoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthalenyl,2-naphthoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-naphthyl,4,4,4-trifluoro-3-oxo-2'-butyronaphthone,acmc-1bl5t
IUPAC Name	4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione
InChI Key	WVVLURYIQCXPIV-UHFFFAOYSA-N
Molecular Formula	C14H9F3O2

5,085

4-Phenoxypyridine 95.0+%, TCI America™

CAS: 4783-86-2 Molecular Formula: C11H9NO Molecular Weight (g/mol): 171.199 MDL Number: MFCD00235157 InChI Key: OATKXQIGHQXTDO-UHFFFAOYSA-N PubChem CID: 249651 IUPAC Name: 4-phenoxypyridine SMILES: C1=CC=C(C=C1)OC2=CC=NC=C2

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Specifications

PubChem CID	249651
CAS	4783-86-2
Molecular Weight (g/mol)	171.199
MDL Number	MFCD00235157
SMILES	C1=CC=C(C=C1)OC2=CC=NC=C2
IUPAC Name	4-phenoxypyridine
InChI Key	OATKXQIGHQXTDO-UHFFFAOYSA-N
Molecular Formula	C11H9NO

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