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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.
Aminotoluenes (3)
Cyclohexylphenols (3)
Diphenylethers (1)
Methoxybenzenes (2)
Nitrobenzoic acids and derivatives (2)
Nitrotoluenes (2)
N-phenylureas (5)
Phenylcarbamic acid esters (3)
Phenylpropanes (2)
Trifluoromethylbenzenes (1)
Benzyl Derivatives (1)

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1 – 12 of 12 results
1

1,2,4-Trimethoxybenzene, 98%

CAS: 135-77-3 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00008360 InChI Key: AGIQIOSHSMJYJP-UHFFFAOYSA-N Synonym: benzene, 1,2,4-trimethoxy,unii-3ku3wd07ss,epa pesticide chemical code 040515,3ku3wd07ss,hydroxyhydroquinone trimethyl ether,2,4,5-trimethoxybenzene,acmc-1br3s,1,3,4-trimethoxy benzene,dsstox_cid_15163,dsstox_rid_79243 PubChem CID: 67284 IUPAC Name: 1,2,4-trimethoxybenzene SMILES: COC1=CC(=C(C=C1)OC)OC

PubChem CID 67284
CAS 135-77-3
Molecular Weight (g/mol) 168.192
MDL Number MFCD00008360
SMILES COC1=CC(=C(C=C1)OC)OC
Synonym benzene, 1,2,4-trimethoxy,unii-3ku3wd07ss,epa pesticide chemical code 040515,3ku3wd07ss,hydroxyhydroquinone trimethyl ether,2,4,5-trimethoxybenzene,acmc-1br3s,1,3,4-trimethoxy benzene,dsstox_cid_15163,dsstox_rid_79243
IUPAC Name 1,2,4-trimethoxybenzene
InChI Key AGIQIOSHSMJYJP-UHFFFAOYSA-N
Molecular Formula C9H12O3
3

Dimethylaminobenzaldehyde R6 EU Pharmacopoeia, Fisher Chemical™
BIOPHARMA

4

Tyrphostin A9, 98+%

CAS: 10537-47-0 Molecular Formula: C18H22N2O Molecular Weight (g/mol): 282.387 MDL Number: MFCD00209853 InChI Key: MZOPWQKISXCCTP-UHFFFAOYSA-N Synonym: tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200 PubChem CID: 5614 ChEBI: CHEBI:82168 IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N

PubChem CID 5614
CAS 10537-47-0
Molecular Weight (g/mol) 282.387
ChEBI CHEBI:82168
MDL Number MFCD00209853
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N
Synonym tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200
IUPAC Name 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
InChI Key MZOPWQKISXCCTP-UHFFFAOYSA-N
Molecular Formula C18H22N2O
5

Flufenoxuron, TRC

CAS: 101463-69-8 Molecular Formula: C21 H11 Cl F6 N2 O3 Molecular Weight (g/mol): 488.77 Synonym: N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide,Cascade,Cascade (pesticide),Flufenoxuron,WL 115110,Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro- IUPAC Name: N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Oc3ccc(cc3Cl)C(F)(F)F)cc2F

CAS 101463-69-8
Molecular Weight (g/mol) 488.77
SMILES Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Oc3ccc(cc3Cl)C(F)(F)F)cc2F
Synonym N-[[[4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluorobenzamide,Cascade,Cascade (pesticide),Flufenoxuron,WL 115110,Benzamide, N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]amino]carbonyl]-2,6-difluoro-
IUPAC Name N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
Molecular Formula C21 H11 Cl F6 N2 O3
6

Nifluridide, TRC

CAS: 61444-62-0 Molecular Formula: C10 H6 F7 N3 O3 Molecular Weight (g/mol): 349.16 Synonym: N-[2-Amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide,Compound 109168,EL 468,EL 968,L 27,L 27 (pesticide),N1-(2,2,3,3-Tetrafluoropionyl)-3-nitro-5-trifluoromethyl-o-phenylenediamine,N1-(2,2,3,3-Tetrafluoropropionyl)-3'-nitro-5'-trifluoromethyl-o-phenylenediamine,Nifluridide IUPAC Name: N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide SMILES: Nc1c(NC(=O)C(F)(F)C(F)F)cc(cc1[N+](=O)[O-])C(F)(F)F

CAS 61444-62-0
Molecular Weight (g/mol) 349.16
SMILES Nc1c(NC(=O)C(F)(F)C(F)F)cc(cc1[N+](=O)[O-])C(F)(F)F
Synonym N-[2-Amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide,Compound 109168,EL 468,EL 968,L 27,L 27 (pesticide),N1-(2,2,3,3-Tetrafluoropionyl)-3-nitro-5-trifluoromethyl-o-phenylenediamine,N1-(2,2,3,3-Tetrafluoropropionyl)-3'-nitro-5'-trifluoromethyl-o-phenylenediamine,Nifluridide
IUPAC Name N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
Molecular Formula C10 H6 F7 N3 O3
7

2-Cyclohexyl-4,6-dinitrophenol, TRC

CAS: 131-89-5 Molecular Formula: C12 H14 N2 O5 Molecular Weight (g/mol): 266.25 Synonym: 2-Cyclohexyl-4,6-dinitrophenol,2,4-Dinitro-6-cyclohexylphenol,4,6-Dinitro-o-cyclohexylphenol,DN,DN (pesticide),DN 1,DNOCHP,Dinex,Dry Mix No. 1,NSC 403662,NSC 7739,SN 46 IUPAC Name: 2-cyclohexyl-4,6-dinitrophenol SMILES: Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2CCCCC2

CAS 131-89-5
Molecular Weight (g/mol) 266.25
SMILES Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2CCCCC2
Synonym 2-Cyclohexyl-4,6-dinitrophenol,2,4-Dinitro-6-cyclohexylphenol,4,6-Dinitro-o-cyclohexylphenol,DN,DN (pesticide),DN 1,DNOCHP,Dinex,Dry Mix No. 1,NSC 403662,NSC 7739,SN 46
IUPAC Name 2-cyclohexyl-4,6-dinitrophenol
Molecular Formula C12 H14 N2 O5
8

Chlorfluazuron, TRC

CAS: 71422-67-8 Molecular Formula: C20 H9 Cl3 F5 N3 O3 Molecular Weight (g/mol): 540.65 Synonym: N-[[[3,5-Dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide,AI 3-29785,Aim,Aim (insecticide),Atabron,CGA 112913,Chlorfluazuron,IKI 7899,Jupiter,Jupiter (pesticide),N-(2,6-Difluorobenzoyl)-N'-[3,5-dichloro-4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)phenyl]urea,PP 145,PP 145 (insecticide),UC 62644 IUPAC Name: N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide SMILES: Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c(Cl)c2

CAS 71422-67-8
Molecular Weight (g/mol) 540.65
SMILES Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c(Cl)c2
Synonym N-[[[3,5-Dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide,AI 3-29785,Aim,Aim (insecticide),Atabron,CGA 112913,Chlorfluazuron,IKI 7899,Jupiter,Jupiter (pesticide),N-(2,6-Difluorobenzoyl)-N'-[3,5-dichloro-4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)phenyl]urea,PP 145,PP 145 (insecticide),UC 62644
IUPAC Name N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide
Molecular Formula C20 H9 Cl3 F5 N3 O3
9

Desmedipham, TRC

CAS: 13684-56-5 Molecular Formula: C16 H16 N2 O4 Molecular Weight (g/mol): 300.31 Synonym: Carbamic acid, [3-[[(phenylamino)carbonyl]oxy]phenyl]-, ethyl ester (9CI),Carbanilic acid, m-hydroxy-, ethyl ester, carbanilate (ester) (8CI),3-Ethoxycarbonylaminophenyl N-phenylcarbamate,Betanex,DMP Stefes,Desmedipham,Destor,EP 475,EP 475 (pesticide),Ethyl N-[3-(N-phenylcarbamoyloxy)phenyl]carbamate,Ethyl m-hydroxycarbanilate carbanilate,SN 38107,Synbetan D IUPAC Name: [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate SMILES: CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1

CAS 13684-56-5
Molecular Weight (g/mol) 300.31
SMILES CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1
Synonym Carbamic acid, [3-[[(phenylamino)carbonyl]oxy]phenyl]-, ethyl ester (9CI),Carbanilic acid, m-hydroxy-, ethyl ester, carbanilate (ester) (8CI),3-Ethoxycarbonylaminophenyl N-phenylcarbamate,Betanex,DMP Stefes,Desmedipham,Destor,EP 475,EP 475 (pesticide),Ethyl N-[3-(N-phenylcarbamoyloxy)phenyl]carbamate,Ethyl m-hydroxycarbanilate carbanilate,SN 38107,Synbetan D
IUPAC Name [3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate
Molecular Formula C16 H16 N2 O4
10

2,5-Dichloro-3-nitrobenzoic acid, 98+%, Thermo Scientific™

CAS: 88-86-8 Molecular Formula: C7H3Cl2NO4 Molecular Weight (g/mol): 236.004 MDL Number: MFCD00014691 InChI Key: AUAXYMOBWXOEQD-UHFFFAOYSA-N Synonym: 2,5-dichloro-3-nitrobenzoic acid,dinoben,benzoic acid, 2,5-dichloro-3-nitro,caswell no. 312,3-nitro-2,5-dichlorobenzoic acid,unii-5rxk12d272,kyselina 2,5-dichlor-3-nitrobenzoova,epa pesticide chemical code 028101,kyselina 2,5-dichlor-3-nitrobenzoova czech,2,5-dichloro-3-nitro-benzoic acid PubChem CID: 6951 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(=O)O)Cl

PubChem CID 6951
CAS 88-86-8
Molecular Weight (g/mol) 236.004
MDL Number MFCD00014691
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(=O)O)Cl
Synonym 2,5-dichloro-3-nitrobenzoic acid,dinoben,benzoic acid, 2,5-dichloro-3-nitro,caswell no. 312,3-nitro-2,5-dichlorobenzoic acid,unii-5rxk12d272,kyselina 2,5-dichlor-3-nitrobenzoova,epa pesticide chemical code 028101,kyselina 2,5-dichlor-3-nitrobenzoova czech,2,5-dichloro-3-nitro-benzoic acid
InChI Key AUAXYMOBWXOEQD-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NO4
11

2-Chloro-6-nitrotoluene, 98+%, Thermo Scientific™

CAS: 83-42-1 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007205 InChI Key: XCSNRORTQRKCHB-UHFFFAOYSA-N Synonym: 2-chloro-6-nitrotoluene,6-chloro-2-nitrotoluene,benzene, 1-chloro-2-methyl-3-nitro,toluene, 2-chloro-6-nitro,3-chloro-2-methylnitrobenzene,caswell no. 202,unii-wez013857x,epa pesticide chemical code 019001,chloro-o-nitrotoluene,pubchem14277 PubChem CID: 6740 IUPAC Name: 1-chloro-2-methyl-3-nitrobenzene SMILES: CC1=C(Cl)C=CC=C1[N+]([O-])=O

PubChem CID 6740
CAS 83-42-1
Molecular Weight (g/mol) 171.58
MDL Number MFCD00007205
SMILES CC1=C(Cl)C=CC=C1[N+]([O-])=O
Synonym 2-chloro-6-nitrotoluene,6-chloro-2-nitrotoluene,benzene, 1-chloro-2-methyl-3-nitro,toluene, 2-chloro-6-nitro,3-chloro-2-methylnitrobenzene,caswell no. 202,unii-wez013857x,epa pesticide chemical code 019001,chloro-o-nitrotoluene,pubchem14277
IUPAC Name 1-chloro-2-methyl-3-nitrobenzene
InChI Key XCSNRORTQRKCHB-UHFFFAOYSA-N
Molecular Formula C7H6ClNO2
12

3-Chloro-4-methylaniline hydrochloride, 97%, Thermo Scientific™

CAS: 7745-89-3 Molecular Formula: C7H9Cl2N Molecular Weight (g/mol): 178.056 MDL Number: MFCD00242925 InChI Key: YOQUZCNSUOJWQS-UHFFFAOYSA-N Synonym: 3-chloro-4-methylaniline hydrochloride,starlicide,caswell no. 216a,3-chloro-p-toluidine hydrochloride,unii-7qq8474d5s,benzenamine, 3-chloro-4-methyl-, hydrochloride,epa pesticide chemical code 009901,p-toluidine, 3-chloro-, hydrochloride,4-methyl, 3-chloroaniline hydrochloride,cth PubChem CID: 62651 IUPAC Name: 3-chloro-4-methylaniline;hydrochloride SMILES: CC1=C(C=C(C=C1)N)Cl.Cl

PubChem CID 62651
CAS 7745-89-3
Molecular Weight (g/mol) 178.056
MDL Number MFCD00242925
SMILES CC1=C(C=C(C=C1)N)Cl.Cl
Synonym 3-chloro-4-methylaniline hydrochloride,starlicide,caswell no. 216a,3-chloro-p-toluidine hydrochloride,unii-7qq8474d5s,benzenamine, 3-chloro-4-methyl-, hydrochloride,epa pesticide chemical code 009901,p-toluidine, 3-chloro-, hydrochloride,4-methyl, 3-chloroaniline hydrochloride,cth
IUPAC Name 3-chloro-4-methylaniline;hydrochloride
InChI Key YOQUZCNSUOJWQS-UHFFFAOYSA-N
Molecular Formula C7H9Cl2N