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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6,916 – 6,930 of 77,581 results

6,916

m-Cymene 99.0+%, TCI America™

CAS: 535-77-3 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 MDL Number: MFCD00008891 InChI Key: XCYJPXQACVEIOS-UHFFFAOYSA-N Synonym: m-cymene,1-isopropyl-3-methylbenzene,3-isopropyltoluene,m-isopropyltoluene,m-cymol,m-methylisopropylbenzene,beta-cymene,benzene, 1-methyl-3-1-methylethyl,1-methyl-3-isopropylbenzene,1-methyl-3-1-methylethyl benzene PubChem CID: 10812 IUPAC Name: 1-methyl-3-(propan-2-yl)benzene SMILES: CC(C)C1=CC=CC(C)=C1

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Specifications

PubChem CID	10812
CAS	535-77-3
Molecular Weight (g/mol)	134.22
MDL Number	MFCD00008891
SMILES	CC(C)C1=CC=CC(C)=C1
Synonym	m-cymene,1-isopropyl-3-methylbenzene,3-isopropyltoluene,m-isopropyltoluene,m-cymol,m-methylisopropylbenzene,beta-cymene,benzene, 1-methyl-3-1-methylethyl,1-methyl-3-isopropylbenzene,1-methyl-3-1-methylethyl benzene
IUPAC Name	1-methyl-3-(propan-2-yl)benzene
InChI Key	XCYJPXQACVEIOS-UHFFFAOYSA-N
Molecular Formula	C10H14

6,917

1,3-Diisopropylbenzene 85.0+%, TCI America™

CAS: 99-62-7 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008889 InChI Key: UNEATYXSUBPPKP-UHFFFAOYSA-N Synonym: 1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352 PubChem CID: 7450 IUPAC Name: 1,3-di(propan-2-yl)benzene SMILES: CC(C)C1=CC(=CC=C1)C(C)C

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Specifications

PubChem CID	7450
CAS	99-62-7
Molecular Weight (g/mol)	162.276
MDL Number	MFCD00008889
SMILES	CC(C)C1=CC(=CC=C1)C(C)C
Synonym	1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352
IUPAC Name	1,3-di(propan-2-yl)benzene
InChI Key	UNEATYXSUBPPKP-UHFFFAOYSA-N
Molecular Formula	C12H18

6,918

2,3-Bis(2,6-diisopropylphenylimino)butane 98.0+%, TCI America™

CAS: 74663-77-7 Molecular Formula: C28H40N2 Molecular Weight (g/mol): 404.642 MDL Number: MFCD01862435 InChI Key: YUFQUBWPYIPRHZ-UHFFFAOYSA-N Synonym: N,N′-Bis(2,6-diisopropylphenyl)butane-2,3-diimine PubChem CID: 608871 IUPAC Name: 2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C)C(=NC2=C(C=CC=C2C(C)C)C(C)C)C

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Specifications

PubChem CID	608871
CAS	74663-77-7
Molecular Weight (g/mol)	404.642
MDL Number	MFCD01862435
SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C)C(=NC2=C(C=CC=C2C(C)C)C(C)C)C
Synonym	N,N′-Bis(2,6-diisopropylphenyl)butane-2,3-diimine
IUPAC Name	2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine
InChI Key	YUFQUBWPYIPRHZ-UHFFFAOYSA-N
Molecular Formula	C28H40N2

6,919

Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]copper(I) 98.0+%, TCI America™

CAS: 578743-87-0 Molecular Formula: C27H36ClCuN2 MDL Number: MFCD09264276

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Specifications

CAS	578743-87-0
MDL Number	MFCD09264276
Molecular Formula	C27H36ClCuN2

6,920

2-Phenylpropionaldehyde 95.0+%, TCI America™

CAS: 93-53-8 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00006973 InChI Key: IQVAERDLDAZARL-UHFFFAOYSA-N Synonym: 2-phenylpropionaldehyde,hydratropaldehyde,hydratropic aldehyde,hyacinthal,cumene aldehyde,hydratropa aldehyde,hydrotropic aldehyde,2-phenyl-1-propanal,2-phenyl propionaldehyde,aldehyd hydratropovy PubChem CID: 7146 IUPAC Name: 2-phenylpropanal SMILES: CC(C=O)C1=CC=CC=C1

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Specifications

PubChem CID	7146
CAS	93-53-8
Molecular Weight (g/mol)	134.178
MDL Number	MFCD00006973
SMILES	CC(C=O)C1=CC=CC=C1
Synonym	2-phenylpropionaldehyde,hydratropaldehyde,hydratropic aldehyde,hyacinthal,cumene aldehyde,hydratropa aldehyde,hydrotropic aldehyde,2-phenyl-1-propanal,2-phenyl propionaldehyde,aldehyd hydratropovy
IUPAC Name	2-phenylpropanal
InChI Key	IQVAERDLDAZARL-UHFFFAOYSA-N
Molecular Formula	C9H10O

6,921

3-Isopropylaniline 98.0+%, TCI America™

CAS: 5369-16-4 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00092918 InChI Key: XCCNRBCNYGWTQX-UHFFFAOYSA-N Synonym: 3-Aminocumene, m-Cumidine PubChem CID: 458679 IUPAC Name: 3-(propan-2-yl)aniline SMILES: CC(C)C1=CC(N)=CC=C1

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Specifications

PubChem CID	458679
CAS	5369-16-4
Molecular Weight (g/mol)	135.21
MDL Number	MFCD00092918
SMILES	CC(C)C1=CC(N)=CC=C1
Synonym	3-Aminocumene, m-Cumidine
IUPAC Name	3-(propan-2-yl)aniline
InChI Key	XCCNRBCNYGWTQX-UHFFFAOYSA-N
Molecular Formula	C9H13N

6,922

Monomethyl Isophthalate 97.0+%, TCI America™

CAS: 1877-71-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00029972 InChI Key: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC Name: 3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

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Specifications

PubChem CID	601880
CAS	1877-71-0
Molecular Weight (g/mol)	180.159
MDL Number	MFCD00029972
SMILES	COC(=O)C1=CC=CC(=C1)C(=O)O
Synonym	3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
IUPAC Name	3-methoxycarbonylbenzoic acid
InChI Key	WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Molecular Formula	C9H8O4

6,923

4-Bromobenzaldehyde 97.0+%, TCI America™

CAS: 1122-91-4 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003377 InChI Key: ZRYZBQLXDKPBDU-UHFFFAOYSA-N Synonym: p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd PubChem CID: 70741 IUPAC Name: 4-bromobenzaldehyde SMILES: C1=CC(=CC=C1C=O)Br

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Specifications

PubChem CID	70741
CAS	1122-91-4
Molecular Weight (g/mol)	185.02
MDL Number	MFCD00003377
SMILES	C1=CC(=CC=C1C=O)Br
Synonym	p-bromobenzaldehyde,benzaldehyde, 4-bromo,benzaldehyde, p-bromo,4-bromo-benzaldehyde,4-bromo benzaldehyde,4-bromobenzylaldehyde,p-bromo benzaldehyde,unii-4l8vm24f65,4-brombenzaldehyde,4-brombenzaldehyd
IUPAC Name	4-bromobenzaldehyde
InChI Key	ZRYZBQLXDKPBDU-UHFFFAOYSA-N
Molecular Formula	C7H5BrO

6,924

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

CAS: 620-92-8 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00002385 InChI Key: PXKLMJQFEQBVLD-UHFFFAOYSA-N Synonym: 4,4'-methylenediphenol,bis 4-hydroxyphenyl methane,4,4'-dihydroxydiphenylmethane,phenol, 4,4'-methylenebis,p-p-hydroxybenzyl phenol,bis p-hydroxyphenyl methane,phenol, 4,4'-methylenedi,4,4'-methylenebisphenol,p,p'-bis hydroxyphenyl methane,4-4-hydroxyphenyl methyl phenol PubChem CID: 12111 ChEBI: CHEBI:34575 IUPAC Name: 4-[(4-hydroxyphenyl)methyl]phenol SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)O)O

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Specifications

PubChem CID	12111
CAS	620-92-8
Molecular Weight (g/mol)	200.237
ChEBI	CHEBI:34575
MDL Number	MFCD00002385
SMILES	C1=CC(=CC=C1CC2=CC=C(C=C2)O)O
Synonym	4,4'-methylenediphenol,bis 4-hydroxyphenyl methane,4,4'-dihydroxydiphenylmethane,phenol, 4,4'-methylenebis,p-p-hydroxybenzyl phenol,bis p-hydroxyphenyl methane,phenol, 4,4'-methylenedi,4,4'-methylenebisphenol,p,p'-bis hydroxyphenyl methane,4-4-hydroxyphenyl methyl phenol
IUPAC Name	4-[(4-hydroxyphenyl)methyl]phenol
InChI Key	PXKLMJQFEQBVLD-UHFFFAOYSA-N
Molecular Formula	C13H12O2

6,925

3-Bromobenzaldehyde 98.0+%, TCI America™

CAS: 3132-99-8 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003345 InChI Key: SUISZCALMBHJQX-UHFFFAOYSA-N Synonym: m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde PubChem CID: 76583 IUPAC Name: 3-bromobenzaldehyde SMILES: C1=CC(=CC(=C1)Br)C=O

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Specifications

PubChem CID	76583
CAS	3132-99-8
Molecular Weight (g/mol)	185.02
MDL Number	MFCD00003345
SMILES	C1=CC(=CC(=C1)Br)C=O
Synonym	m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde
IUPAC Name	3-bromobenzaldehyde
InChI Key	SUISZCALMBHJQX-UHFFFAOYSA-N
Molecular Formula	C7H5BrO

6,926

4-(Bromomethyl)phenylacetic Acid 98.0+%, TCI America™

CAS: 13737-36-5 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00010632 InChI Key: WCOCCXZFEJGHTC-UHFFFAOYSA-N Synonym: 4-bromomethyl phenylacetic acid,4-bromomethylphenylacetic acid,2-4-bromomethyl phenyl acetic acid,pam acid,br-pam-linker,4-carboxymethyl benzyl bromide,4-bromomethyl phenyl acetic acid,4-bromomethyl phenylaceticacid PubChem CID: 4519056 IUPAC Name: 2-[4-(bromomethyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)CBr

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Specifications

PubChem CID	4519056
CAS	13737-36-5
Molecular Weight (g/mol)	229.073
MDL Number	MFCD00010632
SMILES	C1=CC(=CC=C1CC(=O)O)CBr
Synonym	4-bromomethyl phenylacetic acid,4-bromomethylphenylacetic acid,2-4-bromomethyl phenyl acetic acid,pam acid,br-pam-linker,4-carboxymethyl benzyl bromide,4-bromomethyl phenyl acetic acid,4-bromomethyl phenylaceticacid
IUPAC Name	2-[4-(bromomethyl)phenyl]acetic acid
InChI Key	WCOCCXZFEJGHTC-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

6,927

Sodium 3-[Ethyl(m-tolyl)amino]-2-hydroxy-1-propanesulfonate Hydrate 98.0+%, TCI America™

CAS: 82692-93-1 Molecular Formula: C12H18NNaO4S Molecular Weight (g/mol): 295.329 MDL Number: MFCD00040641 InChI Key: IRQRBVOQGUPTLG-UHFFFAOYSA-M Synonym: toos,3-ethyl m-tolyl amino-2-hydroxypropane-1-sulfonic acid, sodium salt,sodium 3-n-ethyl-3-methylanilino-2-hydroxypropanesulfonate,sodium n-ethyl-n-2-hydroxy-3-sulfopropyl-m-toluidine,sodium 3-ethyl m-tolyl amino-2-hydroxypropane-1-sulfonate,sodium 3-ethyl 3-methylphenyl amino-2-hydroxypropane-1-sulfonate,3-n-ethyl-3-methylanilino-2-hydroxypropanesulfonic acid sodium salt,1-propanesulfonic acid, 3-ethyl 3-methylphenyl amino-2-hydroxy-, monosodium salt,3-ethyl 3-methylphenyl amino-2-hydroxy-1-propanesulfonic acid monosodium salt,n-ethyl-n-2-hydroxy-3-sulfopropyl-m-toluidine sodium salt PubChem CID: 23676159 IUPAC Name: sodium;3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonate SMILES: CCN(CC(CS(=O)(=O)[O-])O)C1=CC=CC(=C1)C.[Na+]

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Specifications

PubChem CID	23676159
CAS	82692-93-1
Molecular Weight (g/mol)	295.329
MDL Number	MFCD00040641
SMILES	CCN(CC(CS(=O)(=O)[O-])O)C1=CC=CC(=C1)C.[Na+]
Synonym	toos,3-ethyl m-tolyl amino-2-hydroxypropane-1-sulfonic acid, sodium salt,sodium 3-n-ethyl-3-methylanilino-2-hydroxypropanesulfonate,sodium n-ethyl-n-2-hydroxy-3-sulfopropyl-m-toluidine,sodium 3-ethyl m-tolyl amino-2-hydroxypropane-1-sulfonate,sodium 3-ethyl 3-methylphenyl amino-2-hydroxypropane-1-sulfonate,3-n-ethyl-3-methylanilino-2-hydroxypropanesulfonic acid sodium salt,1-propanesulfonic acid, 3-ethyl 3-methylphenyl amino-2-hydroxy-, monosodium salt,3-ethyl 3-methylphenyl amino-2-hydroxy-1-propanesulfonic acid monosodium salt,n-ethyl-n-2-hydroxy-3-sulfopropyl-m-toluidine sodium salt
IUPAC Name	sodium;3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonate
InChI Key	IRQRBVOQGUPTLG-UHFFFAOYSA-M
Molecular Formula	C12H18NNaO4S

6,928

3-Methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 1798-09-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004334 InChI Key: LEGPZHPSIPPYIO-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my PubChem CID: 15719 IUPAC Name: 2-(3-methoxyphenyl)acetic acid SMILES: COC1=CC=CC(=C1)CC(=O)O

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Specifications

PubChem CID	15719
CAS	1798-09-0
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00004334
SMILES	COC1=CC=CC(=C1)CC(=O)O
Synonym	3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my
IUPAC Name	2-(3-methoxyphenyl)acetic acid
InChI Key	LEGPZHPSIPPYIO-UHFFFAOYSA-N
Molecular Formula	C9H10O3

6,929

3-Fluoro-5-(trifluoromethyl)benzyl Bromide 98.0+%, TCI America™

CAS: 239087-09-3 Molecular Formula: C8H5BrF4 Molecular Weight (g/mol): 257.026 MDL Number: MFCD00061175 InChI Key: LCVWAXYGYMZJER-UHFFFAOYSA-N Synonym: 3-fluoro-5-trifluoromethyl benzyl bromide,1-bromomethyl-3-fluoro-5-trifluoromethyl benzene,3-fluoro-5-trifluoromethylbenzyl bromide,3-fluoro-5-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-3-fluoro-5-trifluoromethyl,acmc-1cdjv,3-trifluoromethyl-5-fluorobenzyl bromide,3-fluoro-5-trifluoromethyl-benzyl bromide,5-bromomethyl-3-fluoro-1-trifluoromethyl benzene PubChem CID: 2737575 IUPAC Name: 1-(bromomethyl)-3-fluoro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1C(F)(F)F)F)CBr

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Specifications

PubChem CID	2737575
CAS	239087-09-3
Molecular Weight (g/mol)	257.026
MDL Number	MFCD00061175
SMILES	C1=C(C=C(C=C1C(F)(F)F)F)CBr
Synonym	3-fluoro-5-trifluoromethyl benzyl bromide,1-bromomethyl-3-fluoro-5-trifluoromethyl benzene,3-fluoro-5-trifluoromethylbenzyl bromide,3-fluoro-5-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-3-fluoro-5-trifluoromethyl,acmc-1cdjv,3-trifluoromethyl-5-fluorobenzyl bromide,3-fluoro-5-trifluoromethyl-benzyl bromide,5-bromomethyl-3-fluoro-1-trifluoromethyl benzene
IUPAC Name	1-(bromomethyl)-3-fluoro-5-(trifluoromethyl)benzene
InChI Key	LCVWAXYGYMZJER-UHFFFAOYSA-N
Molecular Formula	C8H5BrF4

6,930

4-Nitroguaiacol 98.0+%, TCI America™

CAS: 3251-56-7 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.136 MDL Number: MFCD00012143 InChI Key: IZLVFLOBTPURLP-UHFFFAOYSA-N Synonym: 4-nitroguaiacol,phenol, 2-methoxy-4-nitro,guaiacol, 4-nitro,2-hydroxy-5-nitroanisole,3-nitro-6-hydroxyanisole,4-hydroxy-3-methoxynitrobenzene,phenol, o-methoxy-p-nitro,o-methoxy-p-nitrophenol,2-methoxy-4-nitro-phenol,4-nitrogualacol PubChem CID: 76738 ChEBI: CHEBI:81050 IUPAC Name: 2-methoxy-4-nitrophenol SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])O

Pricing & Availability
Specifications

PubChem CID	76738
CAS	3251-56-7
Molecular Weight (g/mol)	169.136
ChEBI	CHEBI:81050
MDL Number	MFCD00012143
SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])O
Synonym	4-nitroguaiacol,phenol, 2-methoxy-4-nitro,guaiacol, 4-nitro,2-hydroxy-5-nitroanisole,3-nitro-6-hydroxyanisole,4-hydroxy-3-methoxynitrobenzene,phenol, o-methoxy-p-nitro,o-methoxy-p-nitrophenol,2-methoxy-4-nitro-phenol,4-nitrogualacol
IUPAC Name	2-methoxy-4-nitrophenol
InChI Key	IZLVFLOBTPURLP-UHFFFAOYSA-N
Molecular Formula	C7H7NO4

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