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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2,911 – 2,925 of 119,466 results

2,911

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3,5-Bis(trifluoromethyl)benzoyl chloride, 97%

CAS: 785-56-8 Molecular Formula: C₉H₃ClF₆O Molecular Weight (g/mol): 276.57 MDL Number: MFCD00000387 InChI Key: WAKMMQSMEDJRRI-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoyl chloride,3,5-bis-trifluoromethylbenzoyl chloride,3,5-di trifluoromethyl benzoyl chloride,3,5-bis trifluoromethyl benzoylchloride,benzoyl chloride, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl benzoyl chloride,benzoylchloride, 3,5-bis trifluoromethyl,fxffr cvg exfff,3,5-bis trifluoromethyl benzoychloride PubChem CID: 101856 IUPAC Name: 3,5-bis(trifluoromethyl)benzoyl chloride SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl

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Specifications

PubChem CID	101856
CAS	785-56-8
Molecular Weight (g/mol)	276.57
MDL Number	MFCD00000387
SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl
Synonym	3,5-bis trifluoromethyl benzoyl chloride,3,5-bis-trifluoromethylbenzoyl chloride,3,5-di trifluoromethyl benzoyl chloride,3,5-bis trifluoromethyl benzoylchloride,benzoyl chloride, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl benzoyl chloride,benzoylchloride, 3,5-bis trifluoromethyl,fxffr cvg exfff,3,5-bis trifluoromethyl benzoychloride
IUPAC Name	3,5-bis(trifluoromethyl)benzoyl chloride
InChI Key	WAKMMQSMEDJRRI-UHFFFAOYSA-N
Molecular Formula	C₉H₃ClF₆O

2,912

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Dimethyl 5-hydroxyisophthalate, 99%

CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

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Specifications

PubChem CID	83065
CAS	13036-02-7
Molecular Weight (g/mol)	210.19
MDL Number	MFCD00134367
SMILES	COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
InChI Key	DOSDTCPDBPRFHQ-UHFFFAOYSA-N
Molecular Formula	C10H10O5

2,913

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3-Trifluoromethylphenylboronic acid, 97+%

CAS: 1423-26-3 Molecular Formula: C7H6BF3O2 Molecular Weight (g/mol): 189.93 MDL Number: MFCD00151854 InChI Key: WOAORAPRPVIATR-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride PubChem CID: 2734388 IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(=C1)C(F)(F)F

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Specifications

PubChem CID	2734388
CAS	1423-26-3
Molecular Weight (g/mol)	189.93
MDL Number	MFCD00151854
SMILES	OB(O)C1=CC=CC(=C1)C(F)(F)F
Synonym	3-trifluoromethyl phenylboronic acid,3-trifluoromethylphenylboronic acid,3-trifluoromethyl phenyl boronic acid,3-trifluoromethyl benzeneboronic acid,m-trifluoromethyl phenylboronic acid,3-trifluoromethylboronic acid,3-trifluoromethyl phenyl boranediol,3-boronobenzotrifluoride,3-trifluoromethyl benzeneboronic acid/anhydride
IUPAC Name	[3-(trifluoromethyl)phenyl]boronic acid
InChI Key	WOAORAPRPVIATR-UHFFFAOYSA-N
Molecular Formula	C7H6BF3O2

2,914

Clofibrate, 95+%

CAS: 637-07-0 Molecular Formula: C12H15ClO3 Molecular Weight (g/mol): 242.70 MDL Number: MFCD00000615 InChI Key: KNHUKKLJHYUCFP-UHFFFAOYSA-N Synonym: clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul PubChem CID: 2796 ChEBI: CHEBI:3750 IUPAC Name: ethyl 2-(4-chlorophenoxy)-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1

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Specifications

PubChem CID	2796
CAS	637-07-0
Molecular Weight (g/mol)	242.70
ChEBI	CHEBI:3750
MDL Number	MFCD00000615
SMILES	CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
Synonym	clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul
IUPAC Name	ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
InChI Key	KNHUKKLJHYUCFP-UHFFFAOYSA-N
Molecular Formula	C12H15ClO3

2,915

Econazole nitrate

CAS: 24169-02-6 Molecular Formula: C18H16Cl3N3O4 Molecular Weight (g/mol): 444.693 MDL Number: MFCD00058160 InChI Key: DDXORDQKGIZAME-UHFFFAOYSA-N Synonym: econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150 PubChem CID: 68589 IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid SMILES: C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

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Specifications

PubChem CID	68589
CAS	24169-02-6
Molecular Weight (g/mol)	444.693
MDL Number	MFCD00058160
SMILES	C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]
Synonym	econazole nitrate,ifenec,epi-pevaryl,gyno-pevaryl,econazole nitrate salt,pevaryl,+--econazole nitrate,spectazole,econazolum nitrate,gyno-pevaryl 150
IUPAC Name	1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
InChI Key	DDXORDQKGIZAME-UHFFFAOYSA-N
Molecular Formula	C18H16Cl3N3O4

2,916

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3-(Trifluoromethyl)benzenesulfonyl chloride, 95%, Thermo Scientific™

CAS: 777-44-6 Molecular Formula: C₇H₄ClF₃O₂S Molecular Weight (g/mol): 244.62 MDL Number: MFCD00014724 InChI Key: ONCAZCNPWWQQMW-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzenesulfonyl chloride,3-trifluoromethyl benzene-1-sulfonyl chloride,m-trifluoromethylbenzenesulfonyl chloride,3-trifluoromethyl benzenesulphonyl chloride,3-trifluoromethylbenzenesulfochloride,3-trifluoromethyl benzenesulfonylchloride,benzenesulfonyl chloride, 3-trifluoromethyl,3-chlorosulphonyl benzotrifluoride,m-trifluoromethylphenylsulfonyl chloride,3-trifluoromethyl-benzenesulfonyl chloride PubChem CID: 2733250 IUPAC Name: 3-(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)C(F)(F)F

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Specifications

PubChem CID	2733250
CAS	777-44-6
Molecular Weight (g/mol)	244.62
MDL Number	MFCD00014724
SMILES	C1=CC(=CC(=C1)S(=O)(=O)Cl)C(F)(F)F
Synonym	3-trifluoromethyl benzenesulfonyl chloride,3-trifluoromethyl benzene-1-sulfonyl chloride,m-trifluoromethylbenzenesulfonyl chloride,3-trifluoromethyl benzenesulphonyl chloride,3-trifluoromethylbenzenesulfochloride,3-trifluoromethyl benzenesulfonylchloride,benzenesulfonyl chloride, 3-trifluoromethyl,3-chlorosulphonyl benzotrifluoride,m-trifluoromethylphenylsulfonyl chloride,3-trifluoromethyl-benzenesulfonyl chloride
IUPAC Name	3-(trifluoromethyl)benzenesulfonyl chloride
InChI Key	ONCAZCNPWWQQMW-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClF₃O₂S

2,917

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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

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Specifications

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

2,918

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4-(Chloromethyl)benzonitrile, 98+%

CAS: 874-86-2 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00019761 InChI Key: LOQLDQJTSMKBJU-UHFFFAOYSA-N Synonym: 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile PubChem CID: 70127 IUPAC Name: 4-(chloromethyl)benzonitrile SMILES: C1=CC(=CC=C1CCl)C#N

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Specifications

PubChem CID	70127
CAS	874-86-2
Molecular Weight (g/mol)	151.593
MDL Number	MFCD00019761
SMILES	C1=CC(=CC=C1CCl)C#N
Synonym	4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile
IUPAC Name	4-(chloromethyl)benzonitrile
InChI Key	LOQLDQJTSMKBJU-UHFFFAOYSA-N
Molecular Formula	C8H6ClN

2,919

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2,3,5,6-Tetrafluoroanisole, 97%

CAS: 2324-98-3 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.10 MDL Number: MFCD00000311 InChI Key: AXCOCGJDERQVDK-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoroanisole,2,3,5,6-tetrafluoromethoxy benzene,anisole, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoromethoxybenzene,methyl 2,3,5,6-tetrafluorophenyl ether,benzene, 1,2,4,5-tetrafluoro-3-methoxy,1,2,4,5-tetrafluoro-3-methoxy-benzene,pubchem10114,acmc-1clho,2,3,5,6-tetrafluoro-anisole PubChem CID: 75351 IUPAC Name: 1,2,4,5-tetrafluoro-3-methoxybenzene SMILES: COC1=C(F)C(F)=CC(F)=C1F

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Specifications

PubChem CID	75351
CAS	2324-98-3
Molecular Weight (g/mol)	180.10
MDL Number	MFCD00000311
SMILES	COC1=C(F)C(F)=CC(F)=C1F
Synonym	2,3,5,6-tetrafluoroanisole,2,3,5,6-tetrafluoromethoxy benzene,anisole, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoromethoxybenzene,methyl 2,3,5,6-tetrafluorophenyl ether,benzene, 1,2,4,5-tetrafluoro-3-methoxy,1,2,4,5-tetrafluoro-3-methoxy-benzene,pubchem10114,acmc-1clho,2,3,5,6-tetrafluoro-anisole
IUPAC Name	1,2,4,5-tetrafluoro-3-methoxybenzene
InChI Key	AXCOCGJDERQVDK-UHFFFAOYSA-N
Molecular Formula	C7H4F4O

2,920

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2-Methoxyphenylacetonitrile, 98%

CAS: 7035-03-2 MDL Number: MFCD00001902

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Specifications

CAS	7035-03-2
MDL Number	MFCD00001902

2,921

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Chlorobis[3,5-bis(trifluoromethyl)phenyl]phosphine, 97%, maycontain suspended amine hydrochloride crystals

CAS: 142421-57-6 Molecular Formula: C16H6ClF12P Molecular Weight (g/mol): 492.629 MDL Number: MFCD01630852 InChI Key: DFZQEHBNAJGDCT-UHFFFAOYSA-N Synonym: bis 3,5-di trifluoromethyl phenyl chlorophosphine,phosphinous chloride, bis 3,5-bis trifluoromethyl phenyl,acmc-20alnu,bis 3,5-bis trifluoromethyl phenyl chlorophosphine,bis 3,5-bis trifluoromethyl phenyl-chlorophosphane,bis 3,5-bis trifluoromethyl phenyl-chlorophosphine,bis 3,5-bis trifluoromethyl phenyl chloro phosphane,p,p-bis 3,5-bis trifluoromethyl phenyl phosphinous chloride,phosphinous chloride,p,p-bis 3,5-bis trifluoromethyl phenyl PubChem CID: 5104965 IUPAC Name: bis[3,5-bis(trifluoromethyl)phenyl]-chlorophosphane SMILES: C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F

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Specifications

PubChem CID	5104965
CAS	142421-57-6
Molecular Weight (g/mol)	492.629
MDL Number	MFCD01630852
SMILES	C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F
Synonym	bis 3,5-di trifluoromethyl phenyl chlorophosphine,phosphinous chloride, bis 3,5-bis trifluoromethyl phenyl,acmc-20alnu,bis 3,5-bis trifluoromethyl phenyl chlorophosphine,bis 3,5-bis trifluoromethyl phenyl-chlorophosphane,bis 3,5-bis trifluoromethyl phenyl-chlorophosphine,bis 3,5-bis trifluoromethyl phenyl chloro phosphane,p,p-bis 3,5-bis trifluoromethyl phenyl phosphinous chloride,phosphinous chloride,p,p-bis 3,5-bis trifluoromethyl phenyl
IUPAC Name	bis[3,5-bis(trifluoromethyl)phenyl]-chlorophosphane
InChI Key	DFZQEHBNAJGDCT-UHFFFAOYSA-N
Molecular Formula	C16H6ClF12P

2,922

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3,5-Dimethoxybenzyl alcohol, 99%

CAS: 705-76-0 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004641 InChI Key: AUDBREYGQOXIFT-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol PubChem CID: 69718 IUPAC Name: (3,5-dimethoxyphenyl)methanol SMILES: COC1=CC(OC)=CC(CO)=C1

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Specifications

PubChem CID	69718
CAS	705-76-0
Molecular Weight (g/mol)	168.19
MDL Number	MFCD00004641
SMILES	COC1=CC(OC)=CC(CO)=C1
Synonym	3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol
IUPAC Name	(3,5-dimethoxyphenyl)methanol
InChI Key	AUDBREYGQOXIFT-UHFFFAOYSA-N
Molecular Formula	C9H12O3

2,923

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4-Isopropylbenzenesulfonamide, 97%

CAS: 6335-39-3 Molecular Formula: C9H13NO2S Molecular Weight (g/mol): 199.268 MDL Number: MFCD00457071 InChI Key: WVOWEROKBOQYLJ-UHFFFAOYSA-N Synonym: 4-isopropylbenzenesulfonamide,p-cumenesulfonamide,4-1-methylethyl benzenesulfonamide,4-propan-2-yl benzene-1-sulfonamide,4-i-propyl benzenesulfonamide,4-methylethyl benzenesulfonamide,p-isopropylbenzenesulfonamide,4-isopropylbenzenesulphonamide,4-iso-propylbenzenesulfonamide,4-isopropyl-benzenesulfonamide PubChem CID: 232314 IUPAC Name: 4-propan-2-ylbenzenesulfonamide SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)N

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Specifications

PubChem CID	232314
CAS	6335-39-3
Molecular Weight (g/mol)	199.268
MDL Number	MFCD00457071
SMILES	CC(C)C1=CC=C(C=C1)S(=O)(=O)N
Synonym	4-isopropylbenzenesulfonamide,p-cumenesulfonamide,4-1-methylethyl benzenesulfonamide,4-propan-2-yl benzene-1-sulfonamide,4-i-propyl benzenesulfonamide,4-methylethyl benzenesulfonamide,p-isopropylbenzenesulfonamide,4-isopropylbenzenesulphonamide,4-iso-propylbenzenesulfonamide,4-isopropyl-benzenesulfonamide
IUPAC Name	4-propan-2-ylbenzenesulfonamide
InChI Key	WVOWEROKBOQYLJ-UHFFFAOYSA-N
Molecular Formula	C9H13NO2S

2,924

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Hydroquinone-O,O'-diacetic acid, 98%

CAS: 2245-53-6 Molecular Formula: C10H10O6 Molecular Weight (g/mol): 226.18 MDL Number: MFCD00016816 InChI Key: DNXOCFKTVLHUMU-UHFFFAOYSA-N Synonym: 2,2'-1,4-phenylenebis oxy diacetic acid,1,4-phenylenedioxydiacetic acid,hydroquinone-o,o'-diacetic acid,1,4-dicarboxymethoxybenzene,hydroquinone-o,o-diacetic acid,acetic acid, p-phenylenedioxy di,acetic acid, 2,2'-1,4-phenylenebis oxy bis,2-4-carboxymethoxy phenoxy acetic acid PubChem CID: 75251 IUPAC Name: 2-[4-(carboxymethoxy)phenoxy]acetic acid SMILES: OC(=O)COC1=CC=C(OCC(O)=O)C=C1

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Specifications

PubChem CID	75251
CAS	2245-53-6
Molecular Weight (g/mol)	226.18
MDL Number	MFCD00016816
SMILES	OC(=O)COC1=CC=C(OCC(O)=O)C=C1
Synonym	2,2'-1,4-phenylenebis oxy diacetic acid,1,4-phenylenedioxydiacetic acid,hydroquinone-o,o'-diacetic acid,1,4-dicarboxymethoxybenzene,hydroquinone-o,o-diacetic acid,acetic acid, p-phenylenedioxy di,acetic acid, 2,2'-1,4-phenylenebis oxy bis,2-4-carboxymethoxy phenoxy acetic acid
IUPAC Name	2-[4-(carboxymethoxy)phenoxy]acetic acid
InChI Key	DNXOCFKTVLHUMU-UHFFFAOYSA-N
Molecular Formula	C10H10O6

2,925

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4-Methoxy-2-(trifluoromethyl)benzeneboronic acid

CAS: 313546-16-6 Molecular Formula: C8H8BF3O3 Molecular Weight (g/mol): 219.954 MDL Number: MFCD03095346 InChI Key: ZBCRZEJNAADYKG-UHFFFAOYSA-N Synonym: 4-methoxy-2-trifluoromethyl phenylboronic acid,4-methoxy-2-trifluoromethyl benzeneboronic acid,4-methoxy-2-trifluoromethyl phenyl boronic acid,4-methoxy-2-trifluoromethyl-phenylboronic acid,4-methoxy-2,pubchem1868,acmc-1aefl,ablock ab-13-0076 PubChem CID: 12109460 IUPAC Name: [4-methoxy-2-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)OC)C(F)(F)F)(O)O

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Specifications

PubChem CID	12109460
CAS	313546-16-6
Molecular Weight (g/mol)	219.954
MDL Number	MFCD03095346
SMILES	B(C1=C(C=C(C=C1)OC)C(F)(F)F)(O)O
Synonym	4-methoxy-2-trifluoromethyl phenylboronic acid,4-methoxy-2-trifluoromethyl benzeneboronic acid,4-methoxy-2-trifluoromethyl phenyl boronic acid,4-methoxy-2-trifluoromethyl-phenylboronic acid,4-methoxy-2,pubchem1868,acmc-1aefl,ablock ab-13-0076
IUPAC Name	[4-methoxy-2-(trifluoromethyl)phenyl]boronic acid
InChI Key	ZBCRZEJNAADYKG-UHFFFAOYSA-N
Molecular Formula	C8H8BF3O3

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