Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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3,631 – 3,645 of 159,106 results

3,631

Methyl 3-amino-5-hydroxybenzoate, 97%, Thermo Scientific™

CAS: 67973-80-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD09263220 InChI Key: DMNGQQIFOZYIRA-UHFFFAOYSA-N Synonym: 3-amino-5-hydroxy-benzoic acid methyl ester,benzoic acid, 3-amino-5-hydroxy-, methyl ester,pubchem17212,acmc-1bgay,dmngqqifozyira-uhfffaoysa,methyl 3-amino-5-hydroxy-benzoate,3-amino-5-methoxycarbonyl phenol,3-hydroxy-5-methoxycarbonyl aniline,3-amino-5-hydroxybenzoic acid methyl ester,5-amino-3-hydroxybenzoic acid methyl ester PubChem CID: 12438277 IUPAC Name: methyl 3-amino-5-hydroxybenzoate SMILES: COC(=O)C1=CC(=CC(=C1)O)N

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PubChem CID	12438277
CAS	67973-80-2
Molecular Weight (g/mol)	167.164
MDL Number	MFCD09263220
SMILES	COC(=O)C1=CC(=CC(=C1)O)N
Synonym	3-amino-5-hydroxy-benzoic acid methyl ester,benzoic acid, 3-amino-5-hydroxy-, methyl ester,pubchem17212,acmc-1bgay,dmngqqifozyira-uhfffaoysa,methyl 3-amino-5-hydroxy-benzoate,3-amino-5-methoxycarbonyl phenol,3-hydroxy-5-methoxycarbonyl aniline,3-amino-5-hydroxybenzoic acid methyl ester,5-amino-3-hydroxybenzoic acid methyl ester
IUPAC Name	methyl 3-amino-5-hydroxybenzoate
InChI Key	DMNGQQIFOZYIRA-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

3,632

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3-Amino-2-methylbenzoic acid, 98%

CAS: 52130-17-3 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00075026 InChI Key: BYHMLZGICSEKIY-UHFFFAOYSA-N Synonym: 2-methyl-3-aminobenzoic acid,3-amino-o-toluic acid,3-amino-2-methylbenzoicacid,3-amino-2-methyl-benzoic acid,benzoic acid, 3-amino-2-methyl,2-methyl-3-amino benzoic acid,pubchem10921,acmc-209ky1,ksc489o4b,3-amino-2-methyl benzoic acid PubChem CID: 2733699 IUPAC Name: 3-amino-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1N)C(=O)O

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PubChem CID	2733699
CAS	52130-17-3
Molecular Weight (g/mol)	151.165
MDL Number	MFCD00075026
SMILES	CC1=C(C=CC=C1N)C(=O)O
Synonym	2-methyl-3-aminobenzoic acid,3-amino-o-toluic acid,3-amino-2-methylbenzoicacid,3-amino-2-methyl-benzoic acid,benzoic acid, 3-amino-2-methyl,2-methyl-3-amino benzoic acid,pubchem10921,acmc-209ky1,ksc489o4b,3-amino-2-methyl benzoic acid
IUPAC Name	3-amino-2-methylbenzoic acid
InChI Key	BYHMLZGICSEKIY-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

3,633

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5-chloro-2-nitrobenzoic acid, 99%

CAS: 2516-95-2 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007290 InChI Key: ZKUYSJHXBFFGPU-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate PubChem CID: 17286 SMILES: C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]

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PubChem CID	17286
CAS	2516-95-2
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007290
SMILES	C1=CC(=C(C=C1Cl)C(=O)O)[N+](=O)[O-]
Synonym	5-chloro-2-nitrobenzoic acid,benzoic acid, 5-chloro-2-nitro,2-nitro-5-chlorobenzoic acid,3-chloro-6-nitrobenzoic acid,5-chloro-2-nitro-benzoic acid,pubchem4586,acmc-209ghs,rarechem al bo 1106,timtec-bb sbb009922,2-nitro-5-chlorobenzoate
InChI Key	ZKUYSJHXBFFGPU-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

3,634

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2-Amino-6-nitrobenzoic acid, 97%

CAS: 50573-74-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00034785 InChI Key: GGKYLHNARFFORH-UHFFFAOYSA-N Synonym: 2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d PubChem CID: 95795 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N

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Specifications

PubChem CID	95795
CAS	50573-74-5
Molecular Weight (g/mol)	182.135
MDL Number	MFCD00034785
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N
Synonym	2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d
InChI Key	GGKYLHNARFFORH-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

3,635

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Methyl 3-methoxy-2-nitrobenzoate, 98%, Thermo Scientific Chemicals

CAS: 5307-17-5 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00051968 InChI Key: FDQQRLPHAAICCR-UHFFFAOYSA-N Synonym: benzoic acid, 3-methoxy-2-nitro-, methyl ester,3-methoxy-2-nitrobenzoic acid methyl ester,m-anisic acid, 2-nitro-, methyl ester,maybridge1_002124,cbmicro_008502,methyl 2-nitro-m-anisate,methyl 3-methoxy-2-nitro-benzoate,2-nitro-m-anisic acid methyl ester,3-methoxy-2-nitro-benzoic acid methyl ester PubChem CID: 79195 IUPAC Name: methyl 3-methoxy-2-nitrobenzoate SMILES: COC(=O)C1=CC=CC(OC)=C1[N+]([O-])=O

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Specifications

PubChem CID	79195
CAS	5307-17-5
Molecular Weight (g/mol)	211.17
MDL Number	MFCD00051968
SMILES	COC(=O)C1=CC=CC(OC)=C1[N+]([O-])=O
Synonym	benzoic acid, 3-methoxy-2-nitro-, methyl ester,3-methoxy-2-nitrobenzoic acid methyl ester,m-anisic acid, 2-nitro-, methyl ester,maybridge1_002124,cbmicro_008502,methyl 2-nitro-m-anisate,methyl 3-methoxy-2-nitro-benzoate,2-nitro-m-anisic acid methyl ester,3-methoxy-2-nitro-benzoic acid methyl ester
IUPAC Name	methyl 3-methoxy-2-nitrobenzoate
InChI Key	FDQQRLPHAAICCR-UHFFFAOYSA-N
Molecular Formula	C9H9NO5

3,636

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Methyl 3-amino-4-hydroxybenzoate, 95%

CAS: 536-25-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00017095 InChI Key: VNQABZCSYCTZMS-UHFFFAOYSA-N Synonym: orthocaine,orthoform,aminobenz,orthoderm,3-amino-4-hydroxybenzoic acid methyl ester,benzoic acid, 3-amino-4-hydroxy-, methyl ester,methyl m-amino-p-hydroxybenzoate,methyl 4-hydroxy-3-aminobenzoate,methyl 3-amino-4-hydroxybenzenecarboxylate,unii-jk16yi13qk PubChem CID: 10815 ChEBI: CHEBI:34904 IUPAC Name: methyl 3-amino-4-hydroxybenzoate SMILES: COC(=O)C1=CC(=C(C=C1)O)N

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Specifications

PubChem CID	10815
CAS	536-25-4
Molecular Weight (g/mol)	167.164
ChEBI	CHEBI:34904
MDL Number	MFCD00017095
SMILES	COC(=O)C1=CC(=C(C=C1)O)N
Synonym	orthocaine,orthoform,aminobenz,orthoderm,3-amino-4-hydroxybenzoic acid methyl ester,benzoic acid, 3-amino-4-hydroxy-, methyl ester,methyl m-amino-p-hydroxybenzoate,methyl 4-hydroxy-3-aminobenzoate,methyl 3-amino-4-hydroxybenzenecarboxylate,unii-jk16yi13qk
IUPAC Name	methyl 3-amino-4-hydroxybenzoate
InChI Key	VNQABZCSYCTZMS-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

3,637

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Methyl 3,5-dibromo-2-hydroxybenzoate, 98%

CAS: 21702-79-4 Molecular Formula: C8H6Br2O3 Molecular Weight (g/mol): 309.94 MDL Number: MFCD00017534 InChI Key: KISQISIKTRRMOX-UHFFFAOYSA-N PubChem CID: 624217 IUPAC Name: methyl 3,5-dibromo-2-hydroxybenzoate SMILES: COC(=O)C1=CC(Br)=CC(Br)=C1O

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Specifications

PubChem CID	624217
CAS	21702-79-4
Molecular Weight (g/mol)	309.94
MDL Number	MFCD00017534
SMILES	COC(=O)C1=CC(Br)=CC(Br)=C1O
IUPAC Name	methyl 3,5-dibromo-2-hydroxybenzoate
InChI Key	KISQISIKTRRMOX-UHFFFAOYSA-N
Molecular Formula	C8H6Br2O3

3,638

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Benzenesulfonyl fluoride, 98%

CAS: 368-43-4 Molecular Formula: C6H5FO2S Molecular Weight (g/mol): 160.16 MDL Number: MFCD00007412 InChI Key: IDIPWEYIBKUDNY-UHFFFAOYSA-N Synonym: phenylsulfonyl fluoride,benzenesulphonyl fluoride,benzenesulfonylfluoride,phenylsulfonylfluoride,benzenesulphonylfluoride,fluorophenylsulfone,pubchem14507,acmc-20alq8,wln: wsfr,benzenesulfonyl fluoride PubChem CID: 67779 IUPAC Name: benzenesulfonyl fluoride SMILES: FS(=O)(=O)C1=CC=CC=C1

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PubChem CID	67779
CAS	368-43-4
Molecular Weight (g/mol)	160.16
MDL Number	MFCD00007412
SMILES	FS(=O)(=O)C1=CC=CC=C1
Synonym	phenylsulfonyl fluoride,benzenesulphonyl fluoride,benzenesulfonylfluoride,phenylsulfonylfluoride,benzenesulphonylfluoride,fluorophenylsulfone,pubchem14507,acmc-20alq8,wln: wsfr,benzenesulfonyl fluoride
IUPAC Name	benzenesulfonyl fluoride
InChI Key	IDIPWEYIBKUDNY-UHFFFAOYSA-N
Molecular Formula	C6H5FO2S

3,639

4-Chlorophenylsulfonylacetone, 98+%, Thermo Scientific™

CAS: 5000-48-6 Molecular Formula: C9H9ClO3S Molecular Weight (g/mol): 232.68 MDL Number: MFCD00018663 InChI Key: BRDBHPZILGTBFY-UHFFFAOYSA-N Synonym: 4-chlorophenylsulfonylacetone,1-4-chlorophenyl sulfonyl acetone,1-4-chlorophenyl sulfonyl propan-2-one,4-chlorobenzenesulphonylacetone,p-chlorophenylsulfonylacetone,1-4-chlorobenzenesulfonyl propan-2-one,4-chlorophenylsulfonyl acetone,1-4-chlorophenyl sulfonylpropan-2-one,maybridge1_004685 PubChem CID: 521269 IUPAC Name: 1-(4-chlorophenyl)sulfonylpropan-2-one SMILES: CC(=O)CS(=O)(=O)C1=CC=C(Cl)C=C1

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PubChem CID	521269
CAS	5000-48-6
Molecular Weight (g/mol)	232.68
MDL Number	MFCD00018663
SMILES	CC(=O)CS(=O)(=O)C1=CC=C(Cl)C=C1
Synonym	4-chlorophenylsulfonylacetone,1-4-chlorophenyl sulfonyl acetone,1-4-chlorophenyl sulfonyl propan-2-one,4-chlorobenzenesulphonylacetone,p-chlorophenylsulfonylacetone,1-4-chlorobenzenesulfonyl propan-2-one,4-chlorophenylsulfonyl acetone,1-4-chlorophenyl sulfonylpropan-2-one,maybridge1_004685
IUPAC Name	1-(4-chlorophenyl)sulfonylpropan-2-one
InChI Key	BRDBHPZILGTBFY-UHFFFAOYSA-N
Molecular Formula	C9H9ClO3S

3,640

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3-(Phenylsulfonyl)propionitrile, 99%

CAS: 10154-75-3 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.236 MDL Number: MFCD00047798 InChI Key: OVZPZPVSUAKTCM-UHFFFAOYSA-N Synonym: 3-phenylsulfonyl propionitrile,3-phenylsulfonyl propanenitrile,3-phenylsulphonyl propiononitrile,3-benzenesulfonyl propanenitrile,3-phenylsulfonylpropionitrile,acmc-1bvrh,enamine_005271,3-phenylsulfonyl propanitrile,3-phenylsulphonyl-propionitrile,propanenitrile, 3-phenylsulfonyl PubChem CID: 82413 IUPAC Name: 3-(benzenesulfonyl)propanenitrile SMILES: C1=CC=C(C=C1)S(=O)(=O)CCC#N

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Specifications

PubChem CID	82413
CAS	10154-75-3
Molecular Weight (g/mol)	195.236
MDL Number	MFCD00047798
SMILES	C1=CC=C(C=C1)S(=O)(=O)CCC#N
Synonym	3-phenylsulfonyl propionitrile,3-phenylsulfonyl propanenitrile,3-phenylsulphonyl propiononitrile,3-benzenesulfonyl propanenitrile,3-phenylsulfonylpropionitrile,acmc-1bvrh,enamine_005271,3-phenylsulfonyl propanitrile,3-phenylsulphonyl-propionitrile,propanenitrile, 3-phenylsulfonyl
IUPAC Name	3-(benzenesulfonyl)propanenitrile
InChI Key	OVZPZPVSUAKTCM-UHFFFAOYSA-N
Molecular Formula	C9H9NO2S

3,641

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4-(Ethylsulfonyl)benzeneboronic acid, 98+%

CAS: 352530-24-6 Molecular Formula: C8H11BO4S Molecular Weight (g/mol): 214.042 MDL Number: MFCD02093076 InChI Key: CVBNDDGEVPNUNA-UHFFFAOYSA-N Synonym: 4-ethylsulfonyl phenylboronic acid,4-ethylsulfonyl phenyl boronic acid,4-ethanesulfonyl benzeneboronic acid,4-ethanesulfonyl phenylboronic acid,4-ethylsulfonylphenyl boronic acid,4-ethylsulphonyl benzeneboronic acid,boronic acid, 4-ethylsulfonyl phenyl,4-ethanesulfonyl phenyl boranediol,4-ethanesulphonyl benzeneboronic acid PubChem CID: 2773420 IUPAC Name: (4-ethylsulfonylphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)S(=O)(=O)CC)(O)O

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Specifications

PubChem CID	2773420
CAS	352530-24-6
Molecular Weight (g/mol)	214.042
MDL Number	MFCD02093076
SMILES	B(C1=CC=C(C=C1)S(=O)(=O)CC)(O)O
Synonym	4-ethylsulfonyl phenylboronic acid,4-ethylsulfonyl phenyl boronic acid,4-ethanesulfonyl benzeneboronic acid,4-ethanesulfonyl phenylboronic acid,4-ethylsulfonylphenyl boronic acid,4-ethylsulphonyl benzeneboronic acid,boronic acid, 4-ethylsulfonyl phenyl,4-ethanesulfonyl phenyl boranediol,4-ethanesulphonyl benzeneboronic acid
IUPAC Name	(4-ethylsulfonylphenyl)boronic acid
InChI Key	CVBNDDGEVPNUNA-UHFFFAOYSA-N
Molecular Formula	C8H11BO4S

3,642

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Bis(4-fluorophenyl) sulfone, 98+%

CAS: 383-29-9 Molecular Formula: C12H8F2O2S Molecular Weight (g/mol): 254.25 MDL Number: MFCD00000350 InChI Key: PLVUIVUKKJTSDM-UHFFFAOYSA-N Synonym: 4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone PubChem CID: 67842 IUPAC Name: 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene SMILES: FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1

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PubChem CID	67842
CAS	383-29-9
Molecular Weight (g/mol)	254.25
MDL Number	MFCD00000350
SMILES	FC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(F)C=C1
Synonym	4-fluorophenyl sulfone,bis p-fluorophenyl sulfone,4,4'-sulfonylbis fluorobenzene,bis 4-fluorophenyl sulfone,4,4'-difluorodiphenyl sulfone,4-fluorophenyl sulphone,4-fluorophenylsulfone,benzene, 1,1'-sulfonylbis 4-fluoro,4,4'-difluorodiphenyl sulphone
IUPAC Name	1-fluoro-4-(4-fluorophenyl)sulfonylbenzene
InChI Key	PLVUIVUKKJTSDM-UHFFFAOYSA-N
Molecular Formula	C12H8F2O2S

3,643

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Methyl phenyl sulfone, 98+%

CAS: 3112-85-4 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.199 MDL Number: MFCD00014741 InChI Key: JCDWETOKTFWTHA-UHFFFAOYSA-N Synonym: methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone PubChem CID: 18369 IUPAC Name: methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=CC=C1

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PubChem CID	18369
CAS	3112-85-4
Molecular Weight (g/mol)	156.199
MDL Number	MFCD00014741
SMILES	CS(=O)(=O)C1=CC=CC=C1
Synonym	methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone
IUPAC Name	methylsulfonylbenzene
InChI Key	JCDWETOKTFWTHA-UHFFFAOYSA-N
Molecular Formula	C7H8O2S

3,644

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3,3'-Diaminodiphenyl sulfone, 98%

CAS: 599-61-1 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.30 MDL Number: MFCD00007792 InChI Key: LJGHYPLBDBRCRZ-UHFFFAOYSA-N Synonym: 3,3'-sulfonyldianiline,3,3'-diaminodiphenyl sulfone,3-aminophenyl sulfone,benzenamine, 3,3'-sulfonylbis,3,3'-sulphonyldianiline,bis m-aminophenyl sulfone,3-aminophenyl-sulfone,3,3'-diaminophenyl sulfone,3,3'-sulfonylbis aniline,sulfone, bis m-aminophenyl PubChem CID: 11741 IUPAC Name: 3-(3-aminophenyl)sulfonylaniline SMILES: NC1=CC(=CC=C1)S(=O)(=O)C1=CC(N)=CC=C1

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PubChem CID	11741
CAS	599-61-1
Molecular Weight (g/mol)	248.30
MDL Number	MFCD00007792
SMILES	NC1=CC(=CC=C1)S(=O)(=O)C1=CC(N)=CC=C1
Synonym	3,3'-sulfonyldianiline,3,3'-diaminodiphenyl sulfone,3-aminophenyl sulfone,benzenamine, 3,3'-sulfonylbis,3,3'-sulphonyldianiline,bis m-aminophenyl sulfone,3-aminophenyl-sulfone,3,3'-diaminophenyl sulfone,3,3'-sulfonylbis aniline,sulfone, bis m-aminophenyl
IUPAC Name	3-(3-aminophenyl)sulfonylaniline
InChI Key	LJGHYPLBDBRCRZ-UHFFFAOYSA-N
Molecular Formula	C12H12N2O2S

3,645

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Methyl 5-iodosalicylate, 99%

CAS: 4068-75-1 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD00016462 InChI Key: NRSWJTRJHPRZMH-UHFFFAOYSA-N PubChem CID: 248910 IUPAC Name: methyl 2-hydroxy-5-iodobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)I)O

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Specifications

PubChem CID	248910
CAS	4068-75-1
Molecular Weight (g/mol)	278.045
MDL Number	MFCD00016462
SMILES	COC(=O)C1=C(C=CC(=C1)I)O
IUPAC Name	methyl 2-hydroxy-5-iodobenzoate
InChI Key	NRSWJTRJHPRZMH-UHFFFAOYSA-N
Molecular Formula	C8H7IO3

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