Benzene and substituted derivatives
Filtered Search Results
1-(4-Fluorophenyl)cyclopentanecarbonitrile, 99%, Thermo Scientific™
CAS: 83706-50-7 Molecular Formula: C12H12FN Molecular Weight (g/mol): 189.09 MDL Number: MFCD00800616 InChI Key: MAGOCEYAQAZRNE-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl cyclopentanecarbonitrile,1-4-fluorophenyl cyclopentane-1-carbonitrile,1-4-fluoro-phenyl-cyclopentanecarbonitrile,cyclopentanecarbonitrile,1-4-fluorophenyl PubChem CID: 2733239 IUPAC Name: 1-(4-fluorophenyl)cyclopentane-1-carbonitrile SMILES: C1CCC(C1)(C#N)C2=CC=C(C=C2)F
| PubChem CID | 2733239 |
|---|---|
| CAS | 83706-50-7 |
| Molecular Weight (g/mol) | 189.09 |
| MDL Number | MFCD00800616 |
| SMILES | C1CCC(C1)(C#N)C2=CC=C(C=C2)F |
| Synonym | 1-4-fluorophenyl cyclopentanecarbonitrile,1-4-fluorophenyl cyclopentane-1-carbonitrile,1-4-fluoro-phenyl-cyclopentanecarbonitrile,cyclopentanecarbonitrile,1-4-fluorophenyl |
| IUPAC Name | 1-(4-fluorophenyl)cyclopentane-1-carbonitrile |
| InChI Key | MAGOCEYAQAZRNE-UHFFFAOYSA-N |
| Molecular Formula | C12H12FN |
4-Chloro-2-methoxybenzyl alcohol, 97%, Thermo Scientific Chemicals
CAS: 90296-27-8 Molecular Formula: C8H9ClO2 Molecular Weight (g/mol): 172.61 MDL Number: MFCD02683547 InChI Key: AXXPZAITCCIOIA-UHFFFAOYSA-N Synonym: 4-chloro-2-methoxybenzyl alcohol,4-chloro-2-methoxyphenyl methanol,4-chloro-2-methoxy-phenyl-methanol,benzenemethanol, 4-chloro-2-methoxy,4-chloro-2-methoxybenzyl alcohol 97 PubChem CID: 3549393 IUPAC Name: (4-chloro-2-methoxyphenyl)methanol SMILES: COC1=C(CO)C=CC(Cl)=C1
| PubChem CID | 3549393 |
|---|---|
| CAS | 90296-27-8 |
| Molecular Weight (g/mol) | 172.61 |
| MDL Number | MFCD02683547 |
| SMILES | COC1=C(CO)C=CC(Cl)=C1 |
| Synonym | 4-chloro-2-methoxybenzyl alcohol,4-chloro-2-methoxyphenyl methanol,4-chloro-2-methoxy-phenyl-methanol,benzenemethanol, 4-chloro-2-methoxy,4-chloro-2-methoxybenzyl alcohol 97 |
| IUPAC Name | (4-chloro-2-methoxyphenyl)methanol |
| InChI Key | AXXPZAITCCIOIA-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO2 |
4-Iodobenzaldehyde, 97+%
CAS: 15164-44-0 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039576 InChI Key: NIEBHDXUIJSHSL-UHFFFAOYSA-N Synonym: p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r PubChem CID: 96657 IUPAC Name: 4-iodobenzaldehyde SMILES: IC1=CC=C(C=O)C=C1
| PubChem CID | 96657 |
|---|---|
| CAS | 15164-44-0 |
| Molecular Weight (g/mol) | 232.02 |
| MDL Number | MFCD00039576 |
| SMILES | IC1=CC=C(C=O)C=C1 |
| Synonym | p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r |
| IUPAC Name | 4-iodobenzaldehyde |
| InChI Key | NIEBHDXUIJSHSL-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO |
3-Iodoaniline, 98%
CAS: 626-01-7 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.025 MDL Number: MFCD00007781 InChI Key: FFCSRWGYGMRBGD-UHFFFAOYSA-N Synonym: m-iodoaniline,benzenamine, 3-iodo,aniline, m-iodo,m-aminoiodobenzene,3-iodobenzenamine,1-amino-3-iodobenzene,3-iodo-phenylamine,3iodoaniline,3-iodo-aniline,3-iodophenylamine PubChem CID: 12271 IUPAC Name: 3-iodoaniline SMILES: C1=CC(=CC(=C1)I)N
| PubChem CID | 12271 |
|---|---|
| CAS | 626-01-7 |
| Molecular Weight (g/mol) | 219.025 |
| MDL Number | MFCD00007781 |
| SMILES | C1=CC(=CC(=C1)I)N |
| Synonym | m-iodoaniline,benzenamine, 3-iodo,aniline, m-iodo,m-aminoiodobenzene,3-iodobenzenamine,1-amino-3-iodobenzene,3-iodo-phenylamine,3iodoaniline,3-iodo-aniline,3-iodophenylamine |
| IUPAC Name | 3-iodoaniline |
| InChI Key | FFCSRWGYGMRBGD-UHFFFAOYSA-N |
| Molecular Formula | C6H6IN |
| CAS | 6324-11-4 |
|---|---|
| MDL Number | MFCD00015454 |
Bis(2-ethylhexyl) terephthalate, 97%, Thermo Scientific™
CAS: 6422-86-2 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.55 InChI Key: RWPICVVBGZBXNA-UHFFFAOYSA-N Synonym: bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester PubChem CID: 22932 IUPAC Name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
| PubChem CID | 22932 |
|---|---|
| CAS | 6422-86-2 |
| Molecular Weight (g/mol) | 390.55 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC |
| Synonym | bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester |
| IUPAC Name | bis(2-ethylhexyl) benzene-1,4-dicarboxylate |
| InChI Key | RWPICVVBGZBXNA-UHFFFAOYSA-N |
| Molecular Formula | C24H38O4 |
3-(N-Ethyl-3-methylanilino)-2-hydroxypropanesulfonic acid sodium salt,Spectrophotometric Det. of H2O2, ≥98.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00040641 Synonym: 3-(N-Ethyl-m-toluidino)-2-hydroxypropanesulfonic acid sodium salt; N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine sodium salt; Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate; Sodium N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine; TOOS
| MDL Number | MFCD00040641 |
|---|---|
| Synonym | 3-(N-Ethyl-m-toluidino)-2-hydroxypropanesulfonic acid sodium salt; N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine sodium salt; Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate; Sodium N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine; TOOS |
3-(Trifluoromethyl)benzyl chloride, 98%
CAS: 705-29-3 Molecular Formula: C8H6ClF3 Molecular Weight (g/mol): 194.581 MDL Number: MFCD00000908 InChI Key: XGASTRVQNVVYIZ-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride PubChem CID: 69716 IUPAC Name: 1-(chloromethyl)-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCl
| PubChem CID | 69716 |
|---|---|
| CAS | 705-29-3 |
| Molecular Weight (g/mol) | 194.581 |
| MDL Number | MFCD00000908 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCl |
| Synonym | 3-trifluoromethyl benzyl chloride,1-chloromethyl-3-trifluoromethyl benzene,3-trifluoromethylbenzyl chloride,3-chloromethyl benzotrifluoride,m-trifluoromethylbenzyl chloride,3-chloromethyl-benzotrifluoride,benzene, 1-chloromethyl-3-trifluoromethyl,alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene,3-chloromethylbenzotrifluoride,3-trifluoromethylbenzylchloride |
| IUPAC Name | 1-(chloromethyl)-3-(trifluoromethyl)benzene |
| InChI Key | XGASTRVQNVVYIZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClF3 |
Cyclopentyltriphenylphosphonium bromide, 96%
CAS: 7333-52-0 Molecular Formula: C23H24BrP Molecular Weight (g/mol): 411.32 MDL Number: MFCD00051880 InChI Key: WZYWSVSFFTZZPE-UHFFFAOYSA-M Synonym: cyclopentyltriphenylphosphonium bromide,cyclopentyl triphenyl phosphanium bromide,phosphonium, cyclopentyltriphenyl-, bromide,cyclopentyltriphenylphosphanium bromide,cyclopentyl triphenyl phosphonium bromide,cyclopentyltriphenylphosphoniumbromide,cyclopentyl triphenylphosphonium bromide,phosphonium,cyclopentyltriphenyl-,bromide 1:1,phosphonium,cyclopentyltriphenyl-, bromide 1:1 PubChem CID: 2735896 IUPAC Name: cyclopentyl(triphenyl)phosphanium;bromide SMILES: [Br-].C1CCC(C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2735896 |
|---|---|
| CAS | 7333-52-0 |
| Molecular Weight (g/mol) | 411.32 |
| MDL Number | MFCD00051880 |
| SMILES | [Br-].C1CCC(C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | cyclopentyltriphenylphosphonium bromide,cyclopentyl triphenyl phosphanium bromide,phosphonium, cyclopentyltriphenyl-, bromide,cyclopentyltriphenylphosphanium bromide,cyclopentyl triphenyl phosphonium bromide,cyclopentyltriphenylphosphoniumbromide,cyclopentyl triphenylphosphonium bromide,phosphonium,cyclopentyltriphenyl-,bromide 1:1,phosphonium,cyclopentyltriphenyl-, bromide 1:1 |
| IUPAC Name | cyclopentyl(triphenyl)phosphanium;bromide |
| InChI Key | WZYWSVSFFTZZPE-UHFFFAOYSA-M |
| Molecular Formula | C23H24BrP |
2'-Nitroacetanilide, 98+%
CAS: 552-32-9 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00016991 InChI Key: BUNFNRVLMKHKIT-UHFFFAOYSA-N Synonym: n-2-nitrophenyl acetamide,2'-nitroacetanilide,o-nitroacetanilide,2-nitroacetanilide,acetamide, n-2-nitrophenyl,acetanilide, 2'-nitro,unii-q4kjc83992,o-nitroacetoanilide,zlchem 447,pubchem3357 PubChem CID: 11090 IUPAC Name: N-(2-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 11090 |
|---|---|
| CAS | 552-32-9 |
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00016991 |
| SMILES | CC(=O)NC1=CC=CC=C1[N+]([O-])=O |
| Synonym | n-2-nitrophenyl acetamide,2'-nitroacetanilide,o-nitroacetanilide,2-nitroacetanilide,acetamide, n-2-nitrophenyl,acetanilide, 2'-nitro,unii-q4kjc83992,o-nitroacetoanilide,zlchem 447,pubchem3357 |
| IUPAC Name | N-(2-nitrophenyl)acetamide |
| InChI Key | BUNFNRVLMKHKIT-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3 |
N-α-Benzoyl-L-Arginine p-Nitroanilide Hydrochloride, MP Biomedicals™
CAS: 21653-40-7 Molecular Formula: C19H23ClN6O4 Molecular Weight (g/mol): 434.881 MDL Number: MFCD00063682 InChI Key: DEOKFPFLXFNAON-NTISSMGPSA-N Synonym: bz-arg-pna.hcl,s-n-5-guanidino-1-4-nitrophenyl amino-1-oxopentan-2-yl benzamide hydrochloride,nalpha-benzoyl-l-arginine 4-nitroanilide hydrochloride,bani,s-5-amidinoamino-2-benzoylamino-n-4-nitrophenyl valeramide monohydrochloride,l-bapna,2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride,bz-arg-pna-hcl,bz-arg-pna hcl,bz-arg-pna . hcl PubChem CID: 16219022 IUPAC Name: N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl
| PubChem CID | 16219022 |
|---|---|
| CAS | 21653-40-7 |
| Molecular Weight (g/mol) | 434.881 |
| MDL Number | MFCD00063682 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl |
| Synonym | bz-arg-pna.hcl,s-n-5-guanidino-1-4-nitrophenyl amino-1-oxopentan-2-yl benzamide hydrochloride,nalpha-benzoyl-l-arginine 4-nitroanilide hydrochloride,bani,s-5-amidinoamino-2-benzoylamino-n-4-nitrophenyl valeramide monohydrochloride,l-bapna,2s-5-carbamimidamido-n-4-nitrophenyl-2-phenylformamido pentanamide hydrochloride,bz-arg-pna-hcl,bz-arg-pna hcl,bz-arg-pna . hcl |
| IUPAC Name | N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride |
| InChI Key | DEOKFPFLXFNAON-NTISSMGPSA-N |
| Molecular Formula | C19H23ClN6O4 |
N-α-Benzoyl-L-Argininamide Hydrochloride, MP Biomedicals™
CAS: 4299-03-0 Molecular Formula: C13H20ClN5O2 Molecular Weight (g/mol): 313.786 InChI Key: PYZACNCNNFUUDO-PPHPATTJSA-N Synonym: s-n-1-amino-5-guanidino-1-oxopentan-2-yl benzamide hydrochloride,n-alpha-benzoyl-l-argininamide hydrochloride,2s-5-carbamimidamido-2-phenylformamido pentanamide hydrochloride,bz-arg-nh hcl,bz-arg-nh2 hcl,benzoyl-l-arginine amide hydrochloride,n-benzoyl-l-arginine amide hydrochloride,benzoyl-arginine amide monohydrochloride monihydrate,nalpha-benzoyl-l-argininamidehydrochloridemonohydrate,2s-5-diaminomethylidene amino-2-phenylformamido pentanamide hydrochloride PubChem CID: 22871352 IUPAC Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N.Cl
| PubChem CID | 22871352 |
|---|---|
| CAS | 4299-03-0 |
| Molecular Weight (g/mol) | 313.786 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N.Cl |
| Synonym | s-n-1-amino-5-guanidino-1-oxopentan-2-yl benzamide hydrochloride,n-alpha-benzoyl-l-argininamide hydrochloride,2s-5-carbamimidamido-2-phenylformamido pentanamide hydrochloride,bz-arg-nh hcl,bz-arg-nh2 hcl,benzoyl-l-arginine amide hydrochloride,n-benzoyl-l-arginine amide hydrochloride,benzoyl-arginine amide monohydrochloride monihydrate,nalpha-benzoyl-l-argininamidehydrochloridemonohydrate,2s-5-diaminomethylidene amino-2-phenylformamido pentanamide hydrochloride |
| IUPAC Name | N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrochloride |
| InChI Key | PYZACNCNNFUUDO-PPHPATTJSA-N |
| Molecular Formula | C13H20ClN5O2 |
Hippuric acid, 98%
CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 IUPAC Name: 2-benzamidoacetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1
| PubChem CID | 464 |
|---|---|
| CAS | 495-69-2 |
| Molecular Weight (g/mol) | 179.18 |
| ChEBI | CHEBI:18089 |
| MDL Number | MFCD00002692 |
| SMILES | OC(=O)CNC(=O)C1=CC=CC=C1 |
| Synonym | hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure |
| IUPAC Name | 2-benzamidoacetic acid |
| InChI Key | QIAFMBKCNZACKA-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
Methotrexate disodium salt, 98.5%
CAS: 7413-34-5 Molecular Formula: C20H20N8Na2O5 Molecular Weight (g/mol): 498.411 MDL Number: MFCD00274560 InChI Key: DASQOOZCTWOQPA-GXKRWWSZSA-L Synonym: methotrexate disodium salt,sodium methotrexate,ledertrexate,methotrexate sodium,mtx disodium,methotrexate disodium,unii-3ig1e710zn,trexall,mexate,methotrexate lpf PubChem CID: 11329481 ChEBI: CHEBI:50679 IUPAC Name: disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 11329481 |
|---|---|
| CAS | 7413-34-5 |
| Molecular Weight (g/mol) | 498.411 |
| ChEBI | CHEBI:50679 |
| MDL Number | MFCD00274560 |
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | methotrexate disodium salt,sodium methotrexate,ledertrexate,methotrexate sodium,mtx disodium,methotrexate disodium,unii-3ig1e710zn,trexall,mexate,methotrexate lpf |
| IUPAC Name | disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate |
| InChI Key | DASQOOZCTWOQPA-GXKRWWSZSA-L |
| Molecular Formula | C20H20N8Na2O5 |
2-Amino-5-chlorobenzamide, 98+%
CAS: 5202-85-7 Molecular Formula: C7H7ClN2O Molecular Weight (g/mol): 170.596 MDL Number: MFCD00017126 InChI Key: DNRVZOZGQHHDAT-UHFFFAOYSA-N Synonym: 5-chloroanthranilamide,benzamide, 2-amino-5-chloro,2-amino-5-chloro-benzamide,5-chloro-2-aminobenzamide,2-azanyl-5-chloranyl-benzamide,pubchem13624,acmc-1axdu,3-14-00-00963 beilstein handbook reference,5mk PubChem CID: 78876 IUPAC Name: 2-amino-5-chlorobenzamide SMILES: C1=CC(=C(C=C1Cl)C(=O)N)N
| PubChem CID | 78876 |
|---|---|
| CAS | 5202-85-7 |
| Molecular Weight (g/mol) | 170.596 |
| MDL Number | MFCD00017126 |
| SMILES | C1=CC(=C(C=C1Cl)C(=O)N)N |
| Synonym | 5-chloroanthranilamide,benzamide, 2-amino-5-chloro,2-amino-5-chloro-benzamide,5-chloro-2-aminobenzamide,2-azanyl-5-chloranyl-benzamide,pubchem13624,acmc-1axdu,3-14-00-00963 beilstein handbook reference,5mk |
| IUPAC Name | 2-amino-5-chlorobenzamide |
| InChI Key | DNRVZOZGQHHDAT-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN2O |