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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7,516 – 7,530 of 57,793 results

7,516

2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 98.0+%, TCI America™

CAS: 68716-49-4 Molecular Formula: C12H16BBrO2 Molecular Weight (g/mol): 282.97 MDL Number: MFCD11110553 InChI Key: AZCNDGAXOZWQPV-UHFFFAOYSA-N Synonym: 1-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, 4-Bromophenylboronic Acid Pinacol Ester PubChem CID: 10755376 IUPAC Name: 2-(4-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	10755376
CAS	68716-49-4
Molecular Weight (g/mol)	282.97
MDL Number	MFCD11110553
SMILES	CC1(C)OB(OC1(C)C)C1=CC=C(Br)C=C1
Synonym	1-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, 4-Bromophenylboronic Acid Pinacol Ester
IUPAC Name	2-(4-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key	AZCNDGAXOZWQPV-UHFFFAOYSA-N
Molecular Formula	C12H16BBrO2

7,517

N-Ethyl-N-2-hydroxyethyl-m-toluidine 96.0+%, TCI America™

CAS: 91-88-3 Molecular Formula: C11H17NO Molecular Weight (g/mol): 179.263 MDL Number: MFCD00002849 InChI Key: KRNUKKZDGDAWBF-UHFFFAOYSA-N Synonym: 2-n-ethyl-m-toluidino ethanol,2-ethyl m-tolyl amino ethanol,emery 5714,n-ethyl-n-2-hydroxyethyl-m-toluidine,ethanol, 2-ethyl 3-methylphenyl amino,ethanol, 2-n-ethyl-m-toluidino,n-ethyl-n-hydroxyethyl-meta-toluidine,n-hydroxyethyl-n-ethyl-m-toluidine,unii-1alr5x8r8w PubChem CID: 7067 IUPAC Name: 2-(N-ethyl-3-methylanilino)ethanol SMILES: CCN(CCO)C1=CC=CC(=C1)C

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Specifications

PubChem CID	7067
CAS	91-88-3
Molecular Weight (g/mol)	179.263
MDL Number	MFCD00002849
SMILES	CCN(CCO)C1=CC=CC(=C1)C
Synonym	2-n-ethyl-m-toluidino ethanol,2-ethyl m-tolyl amino ethanol,emery 5714,n-ethyl-n-2-hydroxyethyl-m-toluidine,ethanol, 2-ethyl 3-methylphenyl amino,ethanol, 2-n-ethyl-m-toluidino,n-ethyl-n-hydroxyethyl-meta-toluidine,n-hydroxyethyl-n-ethyl-m-toluidine,unii-1alr5x8r8w
IUPAC Name	2-(N-ethyl-3-methylanilino)ethanol
InChI Key	KRNUKKZDGDAWBF-UHFFFAOYSA-N
Molecular Formula	C11H17NO

7,518

Methyl 5-Bromo-2-methyl-3-nitrobenzoate 98.0+%, TCI America™

CAS: 220514-28-3 Molecular Formula: C9H8BrNO4 Molecular Weight (g/mol): 274.07 MDL Number: MFCD07781280 InChI Key: UPBDNPCJIJAMPI-UHFFFAOYSA-N Synonym: 5-Bromo-2-methyl-3-nitrobenzoic Acid Methyl Ester PubChem CID: 24727998 IUPAC Name: methyl 5-bromo-2-methyl-3-nitrobenzoate SMILES: COC(=O)C1=CC(Br)=CC(=C1C)[N+]([O-])=O

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Specifications

PubChem CID	24727998
CAS	220514-28-3
Molecular Weight (g/mol)	274.07
MDL Number	MFCD07781280
SMILES	COC(=O)C1=CC(Br)=CC(=C1C)[N+]([O-])=O
Synonym	5-Bromo-2-methyl-3-nitrobenzoic Acid Methyl Ester
IUPAC Name	methyl 5-bromo-2-methyl-3-nitrobenzoate
InChI Key	UPBDNPCJIJAMPI-UHFFFAOYSA-N
Molecular Formula	C9H8BrNO4

7,519

2-Chloro-4-fluorobenzoyl Chloride 98.0+%, TCI America™

CAS: 21900-54-9 Molecular Formula: C7H3Cl2FO Molecular Weight (g/mol): 192.998 MDL Number: MFCD00084954 InChI Key: POIAZJJVWRVLBO-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzoylchloride,2-chloro-4-fluoro-benzoyl chloride,2-chloro-4-fluorobenzene-1-carbonyl chloride,benzoyl chloride, 2-chloro-4-fluoro,benzoyl chloride,2-chloro-4-fluoro,acmc-20anzq,ksc547s3d,2-chlor-4-fluorbenzoylchlorid,2chloro-4-fluorobenzoyl chloride,4-fluoro-2-chlorobenzoyl chloride PubChem CID: 2736546 IUPAC Name: 2-chloro-4-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1F)Cl)C(=O)Cl

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Specifications

PubChem CID	2736546
CAS	21900-54-9
Molecular Weight (g/mol)	192.998
MDL Number	MFCD00084954
SMILES	C1=CC(=C(C=C1F)Cl)C(=O)Cl
Synonym	2-chloro-4-fluorobenzoylchloride,2-chloro-4-fluoro-benzoyl chloride,2-chloro-4-fluorobenzene-1-carbonyl chloride,benzoyl chloride, 2-chloro-4-fluoro,benzoyl chloride,2-chloro-4-fluoro,acmc-20anzq,ksc547s3d,2-chlor-4-fluorbenzoylchlorid,2chloro-4-fluorobenzoyl chloride,4-fluoro-2-chlorobenzoyl chloride
IUPAC Name	2-chloro-4-fluorobenzoyl chloride
InChI Key	POIAZJJVWRVLBO-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2FO

7,520

4,4'-Dinitrodiphenylmethane 99.0+%, TCI America™

CAS: 1817-74-9 Molecular Formula: C13H10N2O4 Molecular Weight (g/mol): 258.23 MDL Number: MFCD00059184 InChI Key: GLBZQZXDUTUCGK-UHFFFAOYSA-N PubChem CID: 15753 IUPAC Name: 1-nitro-4-[(4-nitrophenyl)methyl]benzene SMILES: [O-][N+](=O)C1=CC=C(CC2=CC=C(C=C2)[N+]([O-])=O)C=C1

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Specifications

PubChem CID	15753
CAS	1817-74-9
Molecular Weight (g/mol)	258.23
MDL Number	MFCD00059184
SMILES	[O-][N+](=O)C1=CC=C(CC2=CC=C(C=C2)[N+]([O-])=O)C=C1
IUPAC Name	1-nitro-4-[(4-nitrophenyl)methyl]benzene
InChI Key	GLBZQZXDUTUCGK-UHFFFAOYSA-N
Molecular Formula	C13H10N2O4

7,521

N-Nitroso-N-methylaniline 98.0+%, TCI America™

CAS: 614-00-6 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00045675 InChI Key: MAXCWSIJKVASQC-UHFFFAOYSA-N Synonym: N-Methyl-N-nitrosoaniline, N-Methyl-N-phenylnitrosamine PubChem CID: 11957 IUPAC Name: N-methyl-N-phenylnitrous amide SMILES: CN(C1=CC=CC=C1)N=O

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Specifications

PubChem CID	11957
CAS	614-00-6
Molecular Weight (g/mol)	136.154
MDL Number	MFCD00045675
SMILES	CN(C1=CC=CC=C1)N=O
Synonym	N-Methyl-N-nitrosoaniline, N-Methyl-N-phenylnitrosamine
IUPAC Name	N-methyl-N-phenylnitrous amide
InChI Key	MAXCWSIJKVASQC-UHFFFAOYSA-N
Molecular Formula	C7H8N2O

7,522

5'-Chloro-3-hydroxy-2',4'-dimethoxy-2-naphthanilide 98.0+%, TCI America™

CAS: 92-72-8 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 MDL Number: MFCD00021635 InChI Key: XDWATWCCUTYUDE-UHFFFAOYSA-N Synonym: N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide, Naphthol AS-ITR, Azoic Coupling Component 12 PubChem CID: 66714 IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide SMILES: COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)Cl)OC

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Specifications

PubChem CID	66714
CAS	92-72-8
Molecular Weight (g/mol)	357.79
MDL Number	MFCD00021635
SMILES	COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)Cl)OC
Synonym	N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthamide, Naphthol AS-ITR, Azoic Coupling Component 12
IUPAC Name	N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
InChI Key	XDWATWCCUTYUDE-UHFFFAOYSA-N
Molecular Formula	C19H16ClNO4

7,523

alpha,alpha,alpha',alpha',4-Pentabromo-o-xylene 97.0+%, TCI America™

CAS: 4235-46-5 Molecular Formula: C8H5Br5 Molecular Weight (g/mol): 500.65 MDL Number: MFCD00465850 InChI Key: MSKRZYXIEGFYFD-UHFFFAOYSA-N Synonym: 4-Bromo-1,2-bis(dibromomethyl)benzene PubChem CID: 5151205 IUPAC Name: 4-bromo-1,2-bis(dibromomethyl)benzene SMILES: BrC(Br)C1=C(C=C(Br)C=C1)C(Br)Br

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Specifications

PubChem CID	5151205
CAS	4235-46-5
Molecular Weight (g/mol)	500.65
MDL Number	MFCD00465850
SMILES	BrC(Br)C1=C(C=C(Br)C=C1)C(Br)Br
Synonym	4-Bromo-1,2-bis(dibromomethyl)benzene
IUPAC Name	4-bromo-1,2-bis(dibromomethyl)benzene
InChI Key	MSKRZYXIEGFYFD-UHFFFAOYSA-N
Molecular Formula	C8H5Br5

7,524

4-Amino-4'-(N,N-dimethylamino)stilbene 98.0+%, TCI America™

CAS: 22525-43-5 Molecular Formula: C16H18N2 Molecular Weight (g/mol): 238.334 MDL Number: MFCD00059189 InChI Key: GCHSJPKVJSMRDX-ONEGZZNKSA-N Synonym: N,N-Dimethyl-4,4′C-stilbenediamine PubChem CID: 5376919 IUPAC Name: 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline SMILES: CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N

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Specifications

PubChem CID	5376919
CAS	22525-43-5
Molecular Weight (g/mol)	238.334
MDL Number	MFCD00059189
SMILES	CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N
Synonym	N,N-Dimethyl-4,4′C-stilbenediamine
IUPAC Name	4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]aniline
InChI Key	GCHSJPKVJSMRDX-ONEGZZNKSA-N
Molecular Formula	C16H18N2

7,525

4-Chloro-4'-hydroxybiphenyl 98.0+%, TCI America™

CAS: 28034-99-3 Molecular Formula: C12H9ClO Molecular Weight (g/mol): 204.653 MDL Number: MFCD00143298 InChI Key: ICVFJPSNAUMFCW-UHFFFAOYSA-N Synonym: 4-chloro-4'-hydroxybiphenyl,4-chloro-4'-biphenylol,4'-chlorobiphenyl-4-ol,4-4-chlorophenyl phenol,4-chloro-4-hydroxybiphenyl,4-biphenylol, 4'-chloro,unii-in91367n9r,1,1'-biphenyl-4-ol, 4'-chloro,4'-chloro-4-biphenylol,4'-chloro-1,1'-biphenyl-4-ol PubChem CID: 91589 ChEBI: CHEBI:34394 IUPAC Name: 4-(4-chlorophenyl)phenol SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Cl)O

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Specifications

PubChem CID	91589
CAS	28034-99-3
Molecular Weight (g/mol)	204.653
ChEBI	CHEBI:34394
MDL Number	MFCD00143298
SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)Cl)O
Synonym	4-chloro-4'-hydroxybiphenyl,4-chloro-4'-biphenylol,4'-chlorobiphenyl-4-ol,4-4-chlorophenyl phenol,4-chloro-4-hydroxybiphenyl,4-biphenylol, 4'-chloro,unii-in91367n9r,1,1'-biphenyl-4-ol, 4'-chloro,4'-chloro-4-biphenylol,4'-chloro-1,1'-biphenyl-4-ol
IUPAC Name	4-(4-chlorophenyl)phenol
InChI Key	ICVFJPSNAUMFCW-UHFFFAOYSA-N
Molecular Formula	C12H9ClO

7,526

Methyl 5-Amino-2-chlorobenzoate 98.0+%, TCI America™

CAS: 42122-75-8 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.61 MDL Number: MFCD07800315 InChI Key: LBNPBOFVHYOPIB-UHFFFAOYSA-N Synonym: 5-Amino-2-chlorobenzoic Acid Methyl Ester PubChem CID: 5200412 IUPAC Name: methyl 5-amino-2-chlorobenzoate SMILES: COC(=O)C1=C(Cl)C=CC(N)=C1

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Specifications

PubChem CID	5200412
CAS	42122-75-8
Molecular Weight (g/mol)	185.61
MDL Number	MFCD07800315
SMILES	COC(=O)C1=C(Cl)C=CC(N)=C1
Synonym	5-Amino-2-chlorobenzoic Acid Methyl Ester
IUPAC Name	methyl 5-amino-2-chlorobenzoate
InChI Key	LBNPBOFVHYOPIB-UHFFFAOYSA-N
Molecular Formula	C8H8ClNO2

7,527

2-Methyl-3-trifluoromethylaniline 99.0+%, TCI America™

CAS: 54396-44-0 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD00153216 InChI Key: TWLDBACVSHADLI-UHFFFAOYSA-N Synonym: 2-methyl-3-trifluoromethyl aniline,3-amino-2-methylbenzotrifluoride,3-trifluoromethyl-o-toluidine,3-amino-2-methyl benzotrifluoride,2-methyl-3-trifluoromethyl-phenylamine,2-methyl-3 trifluoromethyl aniline,2-methyl-3-trifluoromethyl benzenamine,benzenamine, 2-methyl-3-trifluoromethyl PubChem CID: 2735932 IUPAC Name: 2-methyl-3-(trifluoromethyl)aniline SMILES: CC1=C(C=CC=C1N)C(F)(F)F

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Specifications

PubChem CID	2735932
CAS	54396-44-0
Molecular Weight (g/mol)	175.154
MDL Number	MFCD00153216
SMILES	CC1=C(C=CC=C1N)C(F)(F)F
Synonym	2-methyl-3-trifluoromethyl aniline,3-amino-2-methylbenzotrifluoride,3-trifluoromethyl-o-toluidine,3-amino-2-methyl benzotrifluoride,2-methyl-3-trifluoromethyl-phenylamine,2-methyl-3 trifluoromethyl aniline,2-methyl-3-trifluoromethyl benzenamine,benzenamine, 2-methyl-3-trifluoromethyl
IUPAC Name	2-methyl-3-(trifluoromethyl)aniline
InChI Key	TWLDBACVSHADLI-UHFFFAOYSA-N
Molecular Formula	C8H8F3N

7,528

Tetraphenylphosphonium Iodide 98.0+%, TCI America™

CAS: 2065-67-0 Molecular Formula: C24H20IP Molecular Weight (g/mol): 466.30 MDL Number: MFCD00011917 InChI Key: AEFPPQGZJFTXDR-UHFFFAOYSA-M Synonym: tetraphenylphosphonium iodide,tetraphenylphosphoniumiodide,tetraphenylphosphanium iodide,acmc-1cpca PubChem CID: 2724164 IUPAC Name: tetraphenylphosphanium iodide SMILES: [I-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2724164
CAS	2065-67-0
Molecular Weight (g/mol)	466.30
MDL Number	MFCD00011917
SMILES	[I-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	tetraphenylphosphonium iodide,tetraphenylphosphoniumiodide,tetraphenylphosphanium iodide,acmc-1cpca
IUPAC Name	tetraphenylphosphanium iodide
InChI Key	AEFPPQGZJFTXDR-UHFFFAOYSA-M
Molecular Formula	C24H20IP

7,529

Methyl 2,6-Difluoro-3-nitrobenzoate 98.0+%, TCI America™

CAS: 84832-01-9 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.128 MDL Number: MFCD07368850 InChI Key: CIHHBTMZOLRCRL-UHFFFAOYSA-N PubChem CID: 43449035 IUPAC Name: methyl 2,6-difluoro-3-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F

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Specifications

PubChem CID	43449035
CAS	84832-01-9
Molecular Weight (g/mol)	217.128
MDL Number	MFCD07368850
SMILES	COC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F
IUPAC Name	methyl 2,6-difluoro-3-nitrobenzoate
InChI Key	CIHHBTMZOLRCRL-UHFFFAOYSA-N
Molecular Formula	C8H5F2NO4

7,530

2-Chloro-4-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 99-60-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

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Specifications

PubChem CID	7448
CAS	99-60-5
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00007209
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde
InChI Key	QAYNSPOKTRVZRC-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

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