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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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4,531 – 4,545 of 57,266 results
4,531

2,4-Dichlorobenzoic acid, 98%

CAS: 50-84-0 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002414 InChI Key: ATCRIUVQKHMXSH-UHFFFAOYSA-N Synonym: benzoic acid, 2,4-dichloro,2,4-dichlorobenzoesyre,2,4 dichlorobenzoic acid,2,4-dichloro-benzoic acid,2,4-dichlorobenzoicacid,ccris 9472,furosemide impurity e,pubchem21313,acmc-209kqh,wln: qvr bg dg PubChem CID: 5787 ChEBI: CHEBI:30748 IUPAC Name: 2,4-dichlorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)O

PubChem CID 5787
CAS 50-84-0
Molecular Weight (g/mol) 191.01
ChEBI CHEBI:30748
MDL Number MFCD00002414
SMILES C1=CC(=C(C=C1Cl)Cl)C(=O)O
Synonym benzoic acid, 2,4-dichloro,2,4-dichlorobenzoesyre,2,4 dichlorobenzoic acid,2,4-dichloro-benzoic acid,2,4-dichlorobenzoicacid,ccris 9472,furosemide impurity e,pubchem21313,acmc-209kqh,wln: qvr bg dg
IUPAC Name 2,4-dichlorobenzoic acid
InChI Key ATCRIUVQKHMXSH-UHFFFAOYSA-N
Molecular Formula C7H4Cl2O2
4,532

Methyl thiosalicylate, 97%

CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.22 MDL Number: MFCD00060678 InChI Key: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC Name: methyl 2-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S

PubChem CID 21009
CAS 4892-02-8
Molecular Weight (g/mol) 168.22
MDL Number MFCD00060678
SMILES COC(=O)C1=CC=CC=C1S
Synonym methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester
IUPAC Name methyl 2-sulfanylbenzoate
InChI Key BAQGCWNPCFABAY-UHFFFAOYSA-N
Molecular Formula C8H8O2S
4,533

4-(Methylthio)benzoic acid, 97%

CAS: 13205-48-6 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00002555 InChI Key: KWHCPERWLHBLOT-UHFFFAOYSA-N Synonym: 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa PubChem CID: 83230 IUPAC Name: 4-methylsulfanylbenzoic acid SMILES: CSC1=CC=C(C=C1)C(O)=O

PubChem CID 83230
CAS 13205-48-6
Molecular Weight (g/mol) 168.21
MDL Number MFCD00002555
SMILES CSC1=CC=C(C=C1)C(O)=O
Synonym 4-methylthio benzoic acid,4-methylsulfanyl benzoic acid,benzoic acid, 4-methylthio,p-methylthio benzoic acid,p-methiobenzoic acid,benzoic acid, p-methylthio,4-methylthiobenzoicacid,pubchem10665,acmc-1bqaa
IUPAC Name 4-methylsulfanylbenzoic acid
InChI Key KWHCPERWLHBLOT-UHFFFAOYSA-N
Molecular Formula C8H8O2S
4,534

Homovanillic acid, 98%

CAS: 306-08-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O

PubChem CID 1738
CAS 306-08-1
Molecular Weight (g/mol) 182.175
ChEBI CHEBI:545959
MDL Number MFCD00004350
SMILES COC1=C(C=CC(=C1)CC(=O)O)O
Synonym homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid
IUPAC Name 2-(4-hydroxy-3-methoxyphenyl)acetic acid
InChI Key QRMZSPFSDQBLIX-UHFFFAOYSA-N
Molecular Formula C9H10O4
4,535

(S)-(-)-1-(4-Methoxyphenyl)ethylamine, ChiPros 99+%, ee 98%

CAS: 41851-59-6 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00671660 InChI Key: JTDGKQNNPKXKII-ZETCQYMHSA-N Synonym: s---1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethanamine,s-1-4-methoxyphenyl ethylamine,s-1-4-methoxy-phenyl-ethylamine,1s-1-4-methoxyphenyl ethanamine,s--1-4-methoxyphenyl ethylamine,s-p-1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethan-1-amine,1s-1-4-methoxyphenyl ethan-1-amine PubChem CID: 793467 IUPAC Name: (1S)-1-(4-methoxyphenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)OC)N

PubChem CID 793467
CAS 41851-59-6
Molecular Weight (g/mol) 151.209
MDL Number MFCD00671660
SMILES CC(C1=CC=C(C=C1)OC)N
Synonym s---1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethanamine,s-1-4-methoxyphenyl ethylamine,s-1-4-methoxy-phenyl-ethylamine,1s-1-4-methoxyphenyl ethanamine,s--1-4-methoxyphenyl ethylamine,s-p-1-4-methoxyphenyl ethylamine,s-1-4-methoxyphenyl ethan-1-amine,1s-1-4-methoxyphenyl ethan-1-amine
IUPAC Name (1S)-1-(4-methoxyphenyl)ethanamine
InChI Key JTDGKQNNPKXKII-ZETCQYMHSA-N
Molecular Formula C9H13NO
4,536

2-Methoxybenzonitrile, 98%

CAS: 6609-56-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001783 InChI Key: FSTPMFASNVISBU-UHFFFAOYSA-N Synonym: 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile PubChem CID: 81086 IUPAC Name: 2-methoxybenzonitrile SMILES: COC1=CC=CC=C1C#N

PubChem CID 81086
CAS 6609-56-9
Molecular Weight (g/mol) 133.15
MDL Number MFCD00001783
SMILES COC1=CC=CC=C1C#N
Synonym 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile
IUPAC Name 2-methoxybenzonitrile
InChI Key FSTPMFASNVISBU-UHFFFAOYSA-N
Molecular Formula C8H7NO
4,537

1,2,3-Trimethoxybenzene, 98+%

CAS: 634-36-6 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00008358 InChI Key: CRUILBNAQILVHZ-UHFFFAOYSA-N Synonym: methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene PubChem CID: 12462 ChEBI: CHEBI:86529 IUPAC Name: 1,2,3-trimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)OC

PubChem CID 12462
CAS 634-36-6
Molecular Weight (g/mol) 168.192
ChEBI CHEBI:86529
MDL Number MFCD00008358
SMILES COC1=C(C(=CC=C1)OC)OC
Synonym methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene
IUPAC Name 1,2,3-trimethoxybenzene
InChI Key CRUILBNAQILVHZ-UHFFFAOYSA-N
Molecular Formula C9H12O3
4,538

2-Methylanisole, 99%

CAS: 578-58-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00008373 InChI Key: DTFKRVXLBCAIOZ-UHFFFAOYSA-N Synonym: 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene PubChem CID: 33637 IUPAC Name: 1-methoxy-2-methylbenzene SMILES: CC1=CC=CC=C1OC

PubChem CID 33637
CAS 578-58-5
Molecular Weight (g/mol) 122.167
MDL Number MFCD00008373
SMILES CC1=CC=CC=C1OC
Synonym 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene
IUPAC Name 1-methoxy-2-methylbenzene
InChI Key DTFKRVXLBCAIOZ-UHFFFAOYSA-N
Molecular Formula C8H10O
4,539

Anisonitrile, 99%

CAS: 874-90-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001818 InChI Key: XDJAAZYHCCRJOK-UHFFFAOYSA-N Synonym: anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile PubChem CID: 70129 IUPAC Name: 4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1)C#N

PubChem CID 70129
CAS 874-90-8
Molecular Weight (g/mol) 133.15
MDL Number MFCD00001818
SMILES COC1=CC=C(C=C1)C#N
Synonym anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile
IUPAC Name 4-methoxybenzonitrile
InChI Key XDJAAZYHCCRJOK-UHFFFAOYSA-N
Molecular Formula C8H7NO
4,540

2-Methoxybenzonitrile, 99%

CAS: 6609-56-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001783 InChI Key: FSTPMFASNVISBU-UHFFFAOYSA-N Synonym: 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile PubChem CID: 81086 IUPAC Name: 2-methoxybenzonitrile SMILES: COC1=CC=CC=C1C#N

PubChem CID 81086
CAS 6609-56-9
Molecular Weight (g/mol) 133.15
MDL Number MFCD00001783
SMILES COC1=CC=CC=C1C#N
Synonym 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile
IUPAC Name 2-methoxybenzonitrile
InChI Key FSTPMFASNVISBU-UHFFFAOYSA-N
Molecular Formula C8H7NO
4,541

4-Methoxybenzyl mercaptan, 98%

CAS: 6258-60-2 Molecular Formula: C8H10OS Molecular Weight (g/mol): 154.23 MDL Number: MFCD00004871 InChI Key: PTDVPWWJRCOIIO-UHFFFAOYSA-N Synonym: 4-methoxybenzyl mercaptan,4-methoxy-alpha-toluenethiol,4-methoxybenzylmercaptan,4-methoxyphenyl methanethiol,4-methoxy benzylmercaptan,4-methoxybenzenemethanethiol,benzenemethanethiol, 4-methoxy,p-methoxybenzyl mercaptan,p-methoxybenzylthiol,p-methoxybenzylmercaptan PubChem CID: 80407 IUPAC Name: (4-methoxyphenyl)methanethiol SMILES: COC1=CC=C(CS)C=C1

PubChem CID 80407
CAS 6258-60-2
Molecular Weight (g/mol) 154.23
MDL Number MFCD00004871
SMILES COC1=CC=C(CS)C=C1
Synonym 4-methoxybenzyl mercaptan,4-methoxy-alpha-toluenethiol,4-methoxybenzylmercaptan,4-methoxyphenyl methanethiol,4-methoxy benzylmercaptan,4-methoxybenzenemethanethiol,benzenemethanethiol, 4-methoxy,p-methoxybenzyl mercaptan,p-methoxybenzylthiol,p-methoxybenzylmercaptan
IUPAC Name (4-methoxyphenyl)methanethiol
InChI Key PTDVPWWJRCOIIO-UHFFFAOYSA-N
Molecular Formula C8H10OS
4,542

4-Methoxybenzonitrile, 99%

CAS: 874-90-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001818 InChI Key: XDJAAZYHCCRJOK-UHFFFAOYSA-N Synonym: anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile PubChem CID: 70129 IUPAC Name: 4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1)C#N

PubChem CID 70129
CAS 874-90-8
Molecular Weight (g/mol) 133.15
MDL Number MFCD00001818
SMILES COC1=CC=C(C=C1)C#N
Synonym anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile
IUPAC Name 4-methoxybenzonitrile
InChI Key XDJAAZYHCCRJOK-UHFFFAOYSA-N
Molecular Formula C8H7NO
4,543

(S)-(-)-1-(3-Methoxyphenyl)ethylamine, ChiPros 99+%, ee 99+%

CAS: 82796-69-8 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00671656 InChI Key: CJWGCBRQAHCVHW-ZETCQYMHSA-N Synonym: s-1-3-methoxyphenyl ethanamine,s-1-3-methoxyphenyl ethylamine,1s-1-3-methoxyphenyl ethanamine,s-3-1-aminoethyl anisole,1s-1-3-methoxyphenyl ethan-1-amine,s---1-3-methoxyphenyl ethylamine,r-+-1-3-methoxyphenyl ethylamine, chipros, ee,ksc496s2j,s-3-methoxyphenyl ethylamine,1s-1-3-methoxyphenyl ethylamine PubChem CID: 7020761 IUPAC Name: (1S)-1-(3-methoxyphenyl)ethanamine SMILES: CC(C1=CC(=CC=C1)OC)N

PubChem CID 7020761
CAS 82796-69-8
Molecular Weight (g/mol) 151.209
MDL Number MFCD00671656
SMILES CC(C1=CC(=CC=C1)OC)N
Synonym s-1-3-methoxyphenyl ethanamine,s-1-3-methoxyphenyl ethylamine,1s-1-3-methoxyphenyl ethanamine,s-3-1-aminoethyl anisole,1s-1-3-methoxyphenyl ethan-1-amine,s---1-3-methoxyphenyl ethylamine,r-+-1-3-methoxyphenyl ethylamine, chipros, ee,ksc496s2j,s-3-methoxyphenyl ethylamine,1s-1-3-methoxyphenyl ethylamine
IUPAC Name (1S)-1-(3-methoxyphenyl)ethanamine
InChI Key CJWGCBRQAHCVHW-ZETCQYMHSA-N
Molecular Formula C9H13NO
4,544

3,4,5-Trimethoxyphenylacetic acid, 99%

CAS: 951-82-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00004336 InChI Key: DDSJXCGGOXKGSJ-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy PubChem CID: 70372 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O

PubChem CID 70372
CAS 951-82-6
Molecular Weight (g/mol) 226.228
MDL Number MFCD00004336
SMILES COC1=CC(=CC(=C1OC)OC)CC(=O)O
Synonym 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy
IUPAC Name 2-(3,4,5-trimethoxyphenyl)acetic acid
InChI Key DDSJXCGGOXKGSJ-UHFFFAOYSA-N
Molecular Formula C11H14O5
4,545

4-Fluoroanisole, 99%, Thermo Scientific Chemicals

CAS: 459-60-9 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000348 InChI Key: VIPWUFMFHBIKQI-UHFFFAOYSA-N Synonym: 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene PubChem CID: 9987 IUPAC Name: 1-fluoro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)F

PubChem CID 9987
CAS 459-60-9
Molecular Weight (g/mol) 126.13
MDL Number MFCD00000348
SMILES COC1=CC=C(C=C1)F
Synonym 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene
IUPAC Name 1-fluoro-4-methoxybenzene
InChI Key VIPWUFMFHBIKQI-UHFFFAOYSA-N
Molecular Formula C7H7FO