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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6,661 – 6,675 of 57,364 results

6,661

1-(4-Chlorobenzhydryl)piperazine 98.0+%, TCI America™

CAS: 303-26-4 Molecular Formula: C17H19ClN2 Molecular Weight (g/mol): 286.803 MDL Number: MFCD00005965 InChI Key: UZKBSZSTDQSMDR-UHFFFAOYSA-N Synonym: 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine PubChem CID: 9340 IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

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Specifications

PubChem CID	9340
CAS	303-26-4
Molecular Weight (g/mol)	286.803
MDL Number	MFCD00005965
SMILES	C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Synonym	1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine
IUPAC Name	1-[(4-chlorophenyl)-phenylmethyl]piperazine
InChI Key	UZKBSZSTDQSMDR-UHFFFAOYSA-N
Molecular Formula	C17H19ClN2

6,662

4-Chlorosalicylic Acid 98.0+%, TCI America™

CAS: 5106-98-9 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.56 MDL Number: MFCD00002449 InChI Key: LWXFCZXRFBUOOR-UHFFFAOYSA-N Synonym: 4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid PubChem CID: 78782 IUPAC Name: 4-chloro-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1O

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Specifications

PubChem CID	78782
CAS	5106-98-9
Molecular Weight (g/mol)	172.56
MDL Number	MFCD00002449
SMILES	OC(=O)C1=CC=C(Cl)C=C1O
Synonym	4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid
IUPAC Name	4-chloro-2-hydroxybenzoic acid
InChI Key	LWXFCZXRFBUOOR-UHFFFAOYSA-N
Molecular Formula	C7H5ClO3

6,663

5-Amino-2-chlorobenzotrifluoride 98.0+%, TCI America™

CAS: 320-51-4 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.569 MDL Number: MFCD00007846 InChI Key: ASPDJZINBYYZRU-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl aniline,5-amino-2-chlorobenzotrifluoride,3-trifluoromethyl-4-chloroaniline,4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine,2-chloro-5-aminobenzotrifluoride,acbt,benzenamine, 4-chloro-3-trifluoromethyl,2-chloro-5-aminebenzotrifluoride,4-chloro-3-trifluoromethyl-phenylamine,4-chloro-3-trifluoromethyl benzenamine PubChem CID: 67574 ChEBI: CHEBI:59245 IUPAC Name: 4-chloro-3-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1N)C(F)(F)F)Cl

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Specifications

PubChem CID	67574
CAS	320-51-4
Molecular Weight (g/mol)	195.569
ChEBI	CHEBI:59245
MDL Number	MFCD00007846
SMILES	C1=CC(=C(C=C1N)C(F)(F)F)Cl
Synonym	4-chloro-3-trifluoromethyl aniline,5-amino-2-chlorobenzotrifluoride,3-trifluoromethyl-4-chloroaniline,4-chloro-alpha,alpha,alpha-trifluoro-m-toluidine,2-chloro-5-aminobenzotrifluoride,acbt,benzenamine, 4-chloro-3-trifluoromethyl,2-chloro-5-aminebenzotrifluoride,4-chloro-3-trifluoromethyl-phenylamine,4-chloro-3-trifluoromethyl benzenamine
IUPAC Name	4-chloro-3-(trifluoromethyl)aniline
InChI Key	ASPDJZINBYYZRU-UHFFFAOYSA-N
Molecular Formula	C7H5ClF3N

6,664

3,4,5-Trimethoxytoluene 98.0+%, TCI America™

CAS: 6443-69-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008397 InChI Key: KCIZTNZGSBSSRM-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene PubChem CID: 80922 ChEBI: CHEBI:81354 IUPAC Name: 1,2,3-trimethoxy-5-methylbenzene SMILES: CC1=CC(=C(C(=C1)OC)OC)OC

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Specifications

PubChem CID	80922
CAS	6443-69-2
Molecular Weight (g/mol)	182.219
ChEBI	CHEBI:81354
MDL Number	MFCD00008397
SMILES	CC1=CC(=C(C(=C1)OC)OC)OC
Synonym	3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene
IUPAC Name	1,2,3-trimethoxy-5-methylbenzene
InChI Key	KCIZTNZGSBSSRM-UHFFFAOYSA-N
Molecular Formula	C10H14O3

6,665

4-(Trifluoromethoxy)anisole 97.0+%, TCI America™

CAS: 710-18-9 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.137 MDL Number: MFCD00216942 InChI Key: NOAFZIOGGDPYKK-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3 PubChem CID: 2724973 IUPAC Name: 1-methoxy-4-(trifluoromethoxy)benzene SMILES: COC1=CC=C(C=C1)OC(F)(F)F

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Specifications

PubChem CID	2724973
CAS	710-18-9
Molecular Weight (g/mol)	192.137
MDL Number	MFCD00216942
SMILES	COC1=CC=C(C=C1)OC(F)(F)F
Synonym	4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3
IUPAC Name	1-methoxy-4-(trifluoromethoxy)benzene
InChI Key	NOAFZIOGGDPYKK-UHFFFAOYSA-N
Molecular Formula	C8H7F3O2

6,666

1-(4-Methoxyphenoxy)-2-propanol 98.0+%, TCI America™

CAS: 42900-54-9 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00191541 InChI Key: VRJJZESAMSRBTH-UHFFFAOYNA-N Synonym: 4-(2-Hydroxypropoxy)anisole PubChem CID: 10749941 IUPAC Name: 1-(4-methoxyphenoxy)propan-2-ol SMILES: COC1=CC=C(OCC(C)O)C=C1

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Specifications

PubChem CID	10749941
CAS	42900-54-9
Molecular Weight (g/mol)	182.22
MDL Number	MFCD00191541
SMILES	COC1=CC=C(OCC(C)O)C=C1
Synonym	4-(2-Hydroxypropoxy)anisole
IUPAC Name	1-(4-methoxyphenoxy)propan-2-ol
InChI Key	VRJJZESAMSRBTH-UHFFFAOYNA-N
Molecular Formula	C10H14O3

6,667

3-Bromo-4-methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 774-81-2 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.072 MDL Number: MFCD00017538 InChI Key: POTVGQUUEQTPNA-UHFFFAOYSA-N PubChem CID: 136615 IUPAC Name: 2-(3-bromo-4-methoxyphenyl)acetic acid SMILES: COC1=C(C=C(C=C1)CC(=O)O)Br

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Specifications

PubChem CID	136615
CAS	774-81-2
Molecular Weight (g/mol)	245.072
MDL Number	MFCD00017538
SMILES	COC1=C(C=C(C=C1)CC(=O)O)Br
IUPAC Name	2-(3-bromo-4-methoxyphenyl)acetic acid
InChI Key	POTVGQUUEQTPNA-UHFFFAOYSA-N
Molecular Formula	C9H9BrO3

6,668

3-Methoxybenzonitrile 95.0+%, TCI America™

CAS: 1527-89-5 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001801 InChI Key: KLXSUMLEPNAZFK-UHFFFAOYSA-N Synonym: m-cyanoanisole,benzonitrile, 3-methoxy,m-anisonitrile,m-methoxybenzonitrile,3-cyanoanisole,3-anisonitrile,benzonitrile, m-methoxy,3-methoxy-benzonitrile,3-methoxy benzonitrile,m-methoxybenzontrile PubChem CID: 73712 IUPAC Name: 3-methoxybenzonitrile SMILES: COC1=CC=CC(=C1)C#N

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Specifications

PubChem CID	73712
CAS	1527-89-5
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00001801
SMILES	COC1=CC=CC(=C1)C#N
Synonym	m-cyanoanisole,benzonitrile, 3-methoxy,m-anisonitrile,m-methoxybenzonitrile,3-cyanoanisole,3-anisonitrile,benzonitrile, m-methoxy,3-methoxy-benzonitrile,3-methoxy benzonitrile,m-methoxybenzontrile
IUPAC Name	3-methoxybenzonitrile
InChI Key	KLXSUMLEPNAZFK-UHFFFAOYSA-N
Molecular Formula	C8H7NO

6,669

2,6-Dibromoanisole 98.0+%, TCI America™

CAS: 38603-09-7 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.93 MDL Number: MFCD00093270 InChI Key: BMZVDHQOAJUZJL-UHFFFAOYSA-N Synonym: 1,3-Dibromo-2-methoxybenzene PubChem CID: 181584 IUPAC Name: 1,3-dibromo-2-methoxybenzene SMILES: COC1=C(Br)C=CC=C1Br

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Specifications

PubChem CID	181584
CAS	38603-09-7
Molecular Weight (g/mol)	265.93
MDL Number	MFCD00093270
SMILES	COC1=C(Br)C=CC=C1Br
Synonym	1,3-Dibromo-2-methoxybenzene
IUPAC Name	1,3-dibromo-2-methoxybenzene
InChI Key	BMZVDHQOAJUZJL-UHFFFAOYSA-N
Molecular Formula	C7H6Br2O

6,670

Bis[2-(4-methoxyphenoxy)ethyl] Ether 98.0+%, TCI America™

CAS: 104104-12-3 Molecular Formula: C18H22O5 Molecular Weight (g/mol): 318.369 MDL Number: MFCD00143755 InChI Key: AJXHXSKQHBJNPB-UHFFFAOYSA-N PubChem CID: 629140 IUPAC Name: 1-methoxy-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene SMILES: COC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)OC

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Specifications

PubChem CID	629140
CAS	104104-12-3
Molecular Weight (g/mol)	318.369
MDL Number	MFCD00143755
SMILES	COC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)OC
IUPAC Name	1-methoxy-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
InChI Key	AJXHXSKQHBJNPB-UHFFFAOYSA-N
Molecular Formula	C18H22O5

6,671

2-(4-Methoxyphenyl)benzothiazole 98.0+%, TCI America™

CAS: 6265-92-5 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 InChI Key: AOPZIJQISHFZBN-UHFFFAOYSA-N Synonym: 4-(2-Benzothiazolyl)anisole, 1-(2-Benzothiazolyl)-4-methoxybenzene PubChem CID: 95753 IUPAC Name: 2-(4-methoxyphenyl)-1,3-benzothiazole SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

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Specifications

PubChem CID	95753
CAS	6265-92-5
Molecular Weight (g/mol)	241.308
SMILES	COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
Synonym	4-(2-Benzothiazolyl)anisole, 1-(2-Benzothiazolyl)-4-methoxybenzene
IUPAC Name	2-(4-methoxyphenyl)-1,3-benzothiazole
InChI Key	AOPZIJQISHFZBN-UHFFFAOYSA-N
Molecular Formula	C14H11NOS

6,672

4-Bromo-2,6-difluoroanisole 98.0+%, TCI America™

CAS: 104197-14-0 Molecular Formula: C7H5BrF2O Molecular Weight (g/mol): 223.02 MDL Number: MFCD01631351 InChI Key: CDOQKISJPOWBKC-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluoroanisole,5-bromo-1,3-difluoro-2-methoxy-benzene,4-bromo-2,6-difluorophenyl methyl ether,benzene, 5-bromo-1,3-difluoro-2-methoxy,pubchem8361,acmc-1bo3j,4-bromo-2,6-difluoranisole,ksc183c9b,4-bromo-2,6-difluoro-anisol,3,5-difluoro-4-methoxy-bromobenzene PubChem CID: 2773287 IUPAC Name: 5-bromo-1,3-difluoro-2-methoxybenzene SMILES: COC1=C(F)C=C(Br)C=C1F

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Specifications

PubChem CID	2773287
CAS	104197-14-0
Molecular Weight (g/mol)	223.02
MDL Number	MFCD01631351
SMILES	COC1=C(F)C=C(Br)C=C1F
Synonym	4-bromo-2,6-difluoroanisole,5-bromo-1,3-difluoro-2-methoxy-benzene,4-bromo-2,6-difluorophenyl methyl ether,benzene, 5-bromo-1,3-difluoro-2-methoxy,pubchem8361,acmc-1bo3j,4-bromo-2,6-difluoranisole,ksc183c9b,4-bromo-2,6-difluoro-anisol,3,5-difluoro-4-methoxy-bromobenzene
IUPAC Name	5-bromo-1,3-difluoro-2-methoxybenzene
InChI Key	CDOQKISJPOWBKC-UHFFFAOYSA-N
Molecular Formula	C7H5BrF2O

6,673

4-Benzyloxy-3-methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 29973-91-9 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.3 MDL Number: MFCD00185562 InChI Key: AYCIHUSEBJLTBF-UHFFFAOYSA-N PubChem CID: 297964 IUPAC Name: 2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=CC=C2

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Specifications

PubChem CID	297964
CAS	29973-91-9
Molecular Weight (g/mol)	272.3
MDL Number	MFCD00185562
SMILES	COC1=C(C=CC(=C1)CC(=O)O)OCC2=CC=CC=C2
IUPAC Name	2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid
InChI Key	AYCIHUSEBJLTBF-UHFFFAOYSA-N
Molecular Formula	C16H16O4

6,674

4-Methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 104-01-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

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Specifications

PubChem CID	7690
CAS	104-01-8
Molecular Weight (g/mol)	166.176
ChEBI	CHEBI:55501
MDL Number	MFCD00004345
SMILES	COC1=CC=C(C=C1)CC(=O)O
Synonym	4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
IUPAC Name	2-(4-methoxyphenyl)acetic acid
InChI Key	NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular Formula	C9H10O3

6,675

2-Chloro-5-fluoroanisole 97.0+%, TCI America™

CAS: 450-89-5 Molecular Formula: C7H6ClFO Molecular Weight (g/mol): 160.57 MDL Number: MFCD00042573 InChI Key: ULVPJKKERHMKLS-UHFFFAOYSA-N Synonym: 2-chloro-5-fluoroanisole,benzene, 1-chloro-4-fluoro-2-methoxy,1-chloro-4-fluoro-2-methoxy-benzene,pubchem2659,acmc-1aezg,2-chloro-5-flouroanisole,1-chloro-2-methoxy-4-fluorobenzene;2-chloro-5-fluoroanisole1-chloro-4-fluoro-2-methoxybenzene PubChem CID: 2724520 IUPAC Name: 1-chloro-4-fluoro-2-methoxybenzene SMILES: COC1=CC(F)=CC=C1Cl

Pricing & Availability
Specifications

PubChem CID	2724520
CAS	450-89-5
Molecular Weight (g/mol)	160.57
MDL Number	MFCD00042573
SMILES	COC1=CC(F)=CC=C1Cl
Synonym	2-chloro-5-fluoroanisole,benzene, 1-chloro-4-fluoro-2-methoxy,1-chloro-4-fluoro-2-methoxy-benzene,pubchem2659,acmc-1aezg,2-chloro-5-flouroanisole,1-chloro-2-methoxy-4-fluorobenzene;2-chloro-5-fluoroanisole1-chloro-4-fluoro-2-methoxybenzene
IUPAC Name	1-chloro-4-fluoro-2-methoxybenzene
InChI Key	ULVPJKKERHMKLS-UHFFFAOYSA-N
Molecular Formula	C7H6ClFO

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