Benzene and substituted derivatives
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Sodium Salicylate, Crystal, USP, 98-102%, Spectrum™ Chemical
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CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M IUPAC Name: sodium 2-hydroxybenzoate SMILES: [Na+].OC1=CC=CC=C1C([O-])=O
| CAS | 54-21-7 |
|---|---|
| Molecular Weight (g/mol) | 160.10 |
| SMILES | [Na+].OC1=CC=CC=C1C([O-])=O |
| IUPAC Name | sodium 2-hydroxybenzoate |
| InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
2-Amino-4-fluorobenzoic acid, 98%
CAS: 446-32-2 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00075553 InChI Key: LGPVTNAJFDUWLF-UHFFFAOYSA-N Synonym: 4-fluoroanthranilic acid,2-amino-4-fluoro-benzoic acid,benzoic acid, 2-amino-4-fluoro,2-amino-4-fluoro benzoic acid,2-amino-4-fluorobenzoicacid,fa0,pubchem1323,amino-4-fluorobenzoic acid,acmc-209jz7,2-amino-4fluorobenzoic acid PubChem CID: 2724967 IUPAC Name: 2-amino-4-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)N)C(=O)O
| PubChem CID | 2724967 |
|---|---|
| CAS | 446-32-2 |
| Molecular Weight (g/mol) | 155.128 |
| MDL Number | MFCD00075553 |
| SMILES | C1=CC(=C(C=C1F)N)C(=O)O |
| Synonym | 4-fluoroanthranilic acid,2-amino-4-fluoro-benzoic acid,benzoic acid, 2-amino-4-fluoro,2-amino-4-fluoro benzoic acid,2-amino-4-fluorobenzoicacid,fa0,pubchem1323,amino-4-fluorobenzoic acid,acmc-209jz7,2-amino-4fluorobenzoic acid |
| IUPAC Name | 2-amino-4-fluorobenzoic acid |
| InChI Key | LGPVTNAJFDUWLF-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
Dithizone, ACS, 85+%
CAS: 60-10-6 Molecular Formula: C13H12N4S Molecular Weight (g/mol): 256.33 MDL Number: MFCD00003025 InChI Key: UOFGSWVZMUXXIY-UHFFFAOYSA-N Synonym: dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone PubChem CID: 657262 IUPAC Name: 1-anilino-3-phenyliminothiourea SMILES: S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1
| PubChem CID | 657262 |
|---|---|
| CAS | 60-10-6 |
| Molecular Weight (g/mol) | 256.33 |
| MDL Number | MFCD00003025 |
| SMILES | S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1 |
| Synonym | dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone |
| IUPAC Name | 1-anilino-3-phenyliminothiourea |
| InChI Key | UOFGSWVZMUXXIY-UHFFFAOYSA-N |
| Molecular Formula | C13H12N4S |
Methyl 2,5-dichlorobenzoate, 99%
CAS: 2905-69-3 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00000606 InChI Key: SPJQBGGHUDNAIC-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzoic acid methyl ester,benzoic acid, 2,5-dichloro-, methyl ester,methyl-2,5-dichlorobenzoate,unii-j07555o4he,benzoic acid, dichloro-, methyl ester,pubchem3714,acmc-1bhkt,2,5-dcbme,rarechem al bf 0427,methyl 2,5-bis chloranyl benzoate PubChem CID: 17947 IUPAC Name: methyl 2,5-dichlorobenzoate SMILES: COC(=O)C1=CC(Cl)=CC=C1Cl
| PubChem CID | 17947 |
|---|---|
| CAS | 2905-69-3 |
| Molecular Weight (g/mol) | 205.03 |
| MDL Number | MFCD00000606 |
| SMILES | COC(=O)C1=CC(Cl)=CC=C1Cl |
| Synonym | 2,5-dichlorobenzoic acid methyl ester,benzoic acid, 2,5-dichloro-, methyl ester,methyl-2,5-dichlorobenzoate,unii-j07555o4he,benzoic acid, dichloro-, methyl ester,pubchem3714,acmc-1bhkt,2,5-dcbme,rarechem al bf 0427,methyl 2,5-bis chloranyl benzoate |
| IUPAC Name | methyl 2,5-dichlorobenzoate |
| InChI Key | SPJQBGGHUDNAIC-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O2 |
4,4'-Dimethoxystilbene, 99%
CAS: 4705-34-4 Molecular Formula: C16H16O2 Molecular Weight (g/mol): 240.3 MDL Number: MFCD00008414 InChI Key: CAWFCZIEFIQKRV-ONEGZZNKSA-N Synonym: bianisal,4,4'-dimethoxystilbene,bianisylidene,photoanethole,p,p'-dimethoxystilbene,4,4'-dimethoxy-trans-stilbene,e-1,2-bis 4-methoxyphenyl ethene,1-methoxy-4-e-2-4-methoxyphenyl ethenyl benzene,4,4/'-dimethoxystilbene,1,1'-e-ethene-1,2-diylbis 4-methoxybenzene PubChem CID: 641296 IUPAC Name: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene SMILES: COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OC
| PubChem CID | 641296 |
|---|---|
| CAS | 4705-34-4 |
| Molecular Weight (g/mol) | 240.3 |
| MDL Number | MFCD00008414 |
| SMILES | COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OC |
| Synonym | bianisal,4,4'-dimethoxystilbene,bianisylidene,photoanethole,p,p'-dimethoxystilbene,4,4'-dimethoxy-trans-stilbene,e-1,2-bis 4-methoxyphenyl ethene,1-methoxy-4-e-2-4-methoxyphenyl ethenyl benzene,4,4/'-dimethoxystilbene,1,1'-e-ethene-1,2-diylbis 4-methoxybenzene |
| IUPAC Name | 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene |
| InChI Key | CAWFCZIEFIQKRV-ONEGZZNKSA-N |
| Molecular Formula | C16H16O2 |
Methyl pentafluorobenzoate, 99%
CAS: 36629-42-2 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.10 MDL Number: MFCD00012172 InChI Key: UXJRQNXHCZKHRJ-UHFFFAOYSA-N Synonym: methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester PubChem CID: 606853 IUPAC Name: methyl 2,3,4,5,6-pentafluorobenzoate SMILES: COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 606853 |
|---|---|
| CAS | 36629-42-2 |
| Molecular Weight (g/mol) | 226.10 |
| MDL Number | MFCD00012172 |
| SMILES | COC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | methyl pentafluorobenzoate,pentafluorobenzoic acid methyl ester,benzoic acid, pentafluoro-, methyl ester,benzoic acid,2,3,4,5,6-pentafluoro-, methyl ester,methylpentafluorobenzoate,methyl perfluorobenzoate,acmc-209inq,methyl pentafluorbenzoate,perfluorobenzoic acid methyl ester |
| IUPAC Name | methyl 2,3,4,5,6-pentafluorobenzoate |
| InChI Key | UXJRQNXHCZKHRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
4-Aminobenzylamine, 98%
CAS: 4403-71-8 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.17 MDL Number: MFCD00075513 InChI Key: BFWYZZPDZZGSLJ-UHFFFAOYSA-N Synonym: 4-aminobenzylamine,4-aminomethyl aniline,p-aminobenzylamine,benzenemethanamine, 4-amino,4-aminomethyl-phenylamine,4-aminomethyl phenylamine,4-aminobenzyl amine dihydrochloride,4-amonobenzylae,p-aminobenzylamin,4-amino benzylamine PubChem CID: 427814 IUPAC Name: 4-(aminomethyl)aniline SMILES: C1=CC(=CC=C1CN)N
| PubChem CID | 427814 |
|---|---|
| CAS | 4403-71-8 |
| Molecular Weight (g/mol) | 122.17 |
| MDL Number | MFCD00075513 |
| SMILES | C1=CC(=CC=C1CN)N |
| Synonym | 4-aminobenzylamine,4-aminomethyl aniline,p-aminobenzylamine,benzenemethanamine, 4-amino,4-aminomethyl-phenylamine,4-aminomethyl phenylamine,4-aminobenzyl amine dihydrochloride,4-amonobenzylae,p-aminobenzylamin,4-amino benzylamine |
| IUPAC Name | 4-(aminomethyl)aniline |
| InChI Key | BFWYZZPDZZGSLJ-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2 |
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 |
1,2-Dibenzoylethylene, predominantly trans, 96%
CAS: 959-28-4 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00003083 InChI Key: WYCXGQSQHAXLPK-VAWYXSNFSA-N Synonym: trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene PubChem CID: 735960 IUPAC Name: (E)-1,4-diphenylbut-2-ene-1,4-dione SMILES: C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2
| PubChem CID | 735960 |
|---|---|
| CAS | 959-28-4 |
| Molecular Weight (g/mol) | 236.27 |
| MDL Number | MFCD00003083 |
| SMILES | C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2 |
| Synonym | trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene |
| IUPAC Name | (E)-1,4-diphenylbut-2-ene-1,4-dione |
| InChI Key | WYCXGQSQHAXLPK-VAWYXSNFSA-N |
| Molecular Formula | C16H12O2 |
3,4-Dichlorobenzyl chloride, 98+%
CAS: 102-47-6 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000906 InChI Key: YZIFVWOCPGPNHB-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro PubChem CID: 7609 IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene SMILES: C1=CC(=C(C=C1CCl)Cl)Cl
| PubChem CID | 7609 |
|---|---|
| CAS | 102-47-6 |
| Molecular Weight (g/mol) | 195.47 |
| MDL Number | MFCD00000906 |
| SMILES | C1=CC(=C(C=C1CCl)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro |
| IUPAC Name | 1,2-dichloro-4-(chloromethyl)benzene |
| InChI Key | YZIFVWOCPGPNHB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3 |
3,5-Difluoroaniline, 98%
CAS: 372-39-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N
| PubChem CID | 96595 |
|---|---|
| CAS | 372-39-4 |
| Molecular Weight (g/mol) | 129.11 |
| MDL Number | MFCD00007763 |
| SMILES | C1=C(C=C(C=C1F)F)N |
| Synonym | benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline |
| IUPAC Name | 3,5-difluoroaniline |
| InChI Key | KQOIBXZRCYFZSO-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2N |
5-Bromo-2-iodotoluene, 98+%
CAS: 116632-39-4 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.93 MDL Number: MFCD00060664 InChI Key: GHTUADBHTFHMNI-UHFFFAOYSA-N Synonym: 5-bromo-2-iodotoluene,1-bromo-4-iodo-5-methylbenzene,benzene, 4-bromo-1-iodo-2-methyl,bromoiodotoluene,pubchem3793,2-iodo-5-bromo-toluene,5-bromo-2-iodo toluene,5-bromo-2-iodotoluene,,4-bromo-2-methyliodobenzene,4-bromo-2-methyl-iodobenzene PubChem CID: 2724601 IUPAC Name: 4-bromo-1-iodo-2-methylbenzene SMILES: CC1=CC(Br)=CC=C1I
| PubChem CID | 2724601 |
|---|---|
| CAS | 116632-39-4 |
| Molecular Weight (g/mol) | 296.93 |
| MDL Number | MFCD00060664 |
| SMILES | CC1=CC(Br)=CC=C1I |
| Synonym | 5-bromo-2-iodotoluene,1-bromo-4-iodo-5-methylbenzene,benzene, 4-bromo-1-iodo-2-methyl,bromoiodotoluene,pubchem3793,2-iodo-5-bromo-toluene,5-bromo-2-iodo toluene,5-bromo-2-iodotoluene,,4-bromo-2-methyliodobenzene,4-bromo-2-methyl-iodobenzene |
| IUPAC Name | 4-bromo-1-iodo-2-methylbenzene |
| InChI Key | GHTUADBHTFHMNI-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrI |
5-Bromo-2-hydroxybenzyl alcohol, 98%
CAS: 2316-64-5 Molecular Formula: C7H7BrO2 Molecular Weight (g/mol): 203.04 MDL Number: MFCD00004618 InChI Key: KNKRHSVKIORZQB-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxybenzyl alcohol,4-bromo-2-hydroxymethyl phenol,bromosaligenin,5-bromosalicyl alcohol,bromsalizol,5-bromosaligenin,5-bromo-2-hydroxybenzylalcohol,2-hydroxymethyl-4-bromophenol,benzenemethanol, 5-bromo-2-hydroxy,unii-y1uz53815e PubChem CID: 75342 IUPAC Name: 4-bromo-2-(hydroxymethyl)phenol SMILES: OCC1=CC(Br)=CC=C1O
| PubChem CID | 75342 |
|---|---|
| CAS | 2316-64-5 |
| Molecular Weight (g/mol) | 203.04 |
| MDL Number | MFCD00004618 |
| SMILES | OCC1=CC(Br)=CC=C1O |
| Synonym | 5-bromo-2-hydroxybenzyl alcohol,4-bromo-2-hydroxymethyl phenol,bromosaligenin,5-bromosalicyl alcohol,bromsalizol,5-bromosaligenin,5-bromo-2-hydroxybenzylalcohol,2-hydroxymethyl-4-bromophenol,benzenemethanol, 5-bromo-2-hydroxy,unii-y1uz53815e |
| IUPAC Name | 4-bromo-2-(hydroxymethyl)phenol |
| InChI Key | KNKRHSVKIORZQB-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO2 |
p-Anisaldehyde dimethyl acetal, 98%
CAS: 2186-92-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00036507 InChI Key: NNHYAHOTXLASEA-UHFFFAOYSA-N Synonym: 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal PubChem CID: 75140 IUPAC Name: 1-(dimethoxymethyl)-4-methoxybenzene SMILES: COC(OC)C1=CC=C(OC)C=C1
| PubChem CID | 75140 |
|---|---|
| CAS | 2186-92-7 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00036507 |
| SMILES | COC(OC)C1=CC=C(OC)C=C1 |
| Synonym | 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal |
| IUPAC Name | 1-(dimethoxymethyl)-4-methoxybenzene |
| InChI Key | NNHYAHOTXLASEA-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
2-Bromophenethyl alcohol, 99%
CAS: 1074-16-4 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00093566 InChI Key: ADLOWZRDUHSVRU-UHFFFAOYSA-N Synonym: 2-2-bromophenyl ethanol,2-bromophenethyl alcohol,2-bromophenethylalcohol,2-2-bromophenyl ethan-1-ol,benzeneethanol, 2-bromo,o-bromophenethyl alcohol,2-2-bromophenyl ethyl alcohol,2-bromobenzeneethanol,2-bromophenylethanol,pubchem16178 PubChem CID: 2734089 IUPAC Name: 2-(2-bromophenyl)ethanol SMILES: C1=CC=C(C(=C1)CCO)Br
| PubChem CID | 2734089 |
|---|---|
| CAS | 1074-16-4 |
| Molecular Weight (g/mol) | 201.06 |
| MDL Number | MFCD00093566 |
| SMILES | C1=CC=C(C(=C1)CCO)Br |
| Synonym | 2-2-bromophenyl ethanol,2-bromophenethyl alcohol,2-bromophenethylalcohol,2-2-bromophenyl ethan-1-ol,benzeneethanol, 2-bromo,o-bromophenethyl alcohol,2-2-bromophenyl ethyl alcohol,2-bromobenzeneethanol,2-bromophenylethanol,pubchem16178 |
| IUPAC Name | 2-(2-bromophenyl)ethanol |
| InChI Key | ADLOWZRDUHSVRU-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |