Benzene and substituted derivatives
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3-(1,3-Thiazol-2-yl)benzoic acid, ≥97%, Thermo Scientific™
CAS: 847956-27-8 Molecular Formula: C10H7NO2S Molecular Weight (g/mol): 205.231 MDL Number: MFCD06797800 InChI Key: BLFSSABBFANDKK-UHFFFAOYSA-N PubChem CID: 21075087 IUPAC Name: 3-(1,3-thiazol-2-yl)benzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=NC=CS2
| PubChem CID | 21075087 |
|---|---|
| CAS | 847956-27-8 |
| Molecular Weight (g/mol) | 205.231 |
| MDL Number | MFCD06797800 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=NC=CS2 |
| IUPAC Name | 3-(1,3-thiazol-2-yl)benzoic acid |
| InChI Key | BLFSSABBFANDKK-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2S |
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
| 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 |
3-Iodotoluene, 99%
CAS: 625-95-6 Molecular Formula: C7H7I Molecular Weight (g/mol): 218.037 MDL Number: MFCD00001050 InChI Key: VLCPISYURGTGLP-UHFFFAOYSA-N Synonym: 3-iodotoluene,m-iodotoluene,benzene, 1-iodo-3-methyl,m-tolyl iodide,m-methyliodobenzene,toluene, m-iodo,3-methylphenyl iodide,unii-2h574ir35g,1-iodo-3-methyl-benzene,m-iodo-toluen PubChem CID: 12268 IUPAC Name: 1-iodo-3-methylbenzene SMILES: CC1=CC(=CC=C1)I
| PubChem CID | 12268 |
|---|---|
| CAS | 625-95-6 |
| Molecular Weight (g/mol) | 218.037 |
| MDL Number | MFCD00001050 |
| SMILES | CC1=CC(=CC=C1)I |
| Synonym | 3-iodotoluene,m-iodotoluene,benzene, 1-iodo-3-methyl,m-tolyl iodide,m-methyliodobenzene,toluene, m-iodo,3-methylphenyl iodide,unii-2h574ir35g,1-iodo-3-methyl-benzene,m-iodo-toluen |
| IUPAC Name | 1-iodo-3-methylbenzene |
| InChI Key | VLCPISYURGTGLP-UHFFFAOYSA-N |
| Molecular Formula | C7H7I |
2,3,4-Trimethoxybenzoic acid, 98+%
CAS: 573-11-5 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00002433 InChI Key: HZNQSWJZTWOTKM-UHFFFAOYSA-N Synonym: benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid PubChem CID: 11308 IUPAC Name: 2,3,4-trimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)C(=O)O)OC)OC
| PubChem CID | 11308 |
|---|---|
| CAS | 573-11-5 |
| Molecular Weight (g/mol) | 212.201 |
| MDL Number | MFCD00002433 |
| SMILES | COC1=C(C(=C(C=C1)C(=O)O)OC)OC |
| Synonym | benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid |
| IUPAC Name | 2,3,4-trimethoxybenzoic acid |
| InChI Key | HZNQSWJZTWOTKM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
p-Toluenesulfonic anhydride, 95%
CAS: 4124-41-8 Molecular Formula: C14H14O5S2 Molecular Weight (g/mol): 326.39 MDL Number: MFCD00008548 InChI Key: PDVFSPNIEOYOQL-UHFFFAOYSA-N Synonym: p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride PubChem CID: 77773 IUPAC Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C
| PubChem CID | 77773 |
|---|---|
| CAS | 4124-41-8 |
| Molecular Weight (g/mol) | 326.39 |
| MDL Number | MFCD00008548 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C |
| Synonym | p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride |
| IUPAC Name | (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate |
| InChI Key | PDVFSPNIEOYOQL-UHFFFAOYSA-N |
| Molecular Formula | C14H14O5S2 |
4-Iodobenzoyl chloride, 98%
CAS: 1711-02-0 Molecular Formula: C7H4ClIO Molecular Weight (g/mol): 266.46 MDL Number: MFCD00001058 InChI Key: NJAKCIUOTIPYED-UHFFFAOYSA-N Synonym: p-iodobenzoyl chloride,benzoyl chloride, 4-iodo,benzoyl chloride, p-iodo,4-iodobenzoic acid chloride,4-iodobenzoylchloride,4-iodo-benzoyl chloride,4iodobenzoyl chloride,4-iodo-benzoylchlorid,rho-iodobenzoyl chloride,4-iodo benzoyl chloride PubChem CID: 74373 IUPAC Name: 4-iodobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)I
| PubChem CID | 74373 |
|---|---|
| CAS | 1711-02-0 |
| Molecular Weight (g/mol) | 266.46 |
| MDL Number | MFCD00001058 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)I |
| Synonym | p-iodobenzoyl chloride,benzoyl chloride, 4-iodo,benzoyl chloride, p-iodo,4-iodobenzoic acid chloride,4-iodobenzoylchloride,4-iodo-benzoyl chloride,4iodobenzoyl chloride,4-iodo-benzoylchlorid,rho-iodobenzoyl chloride,4-iodo benzoyl chloride |
| IUPAC Name | 4-iodobenzoyl chloride |
| InChI Key | NJAKCIUOTIPYED-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClIO |
4,4'-Diaminobiphenyl-2,2'-disulfonic acid hydrate, cont. up to 30% water
CAS: 117-61-3 Molecular Formula: C12H12N2O6S2 Molecular Weight (g/mol): 344.36 MDL Number: MFCD00041885 InChI Key: MBJAPGAZEWPEFB-UHFFFAOYSA-N Synonym: 2,2'-benzidinedisulfonic acid,2,2'-disulfobenzidine,benzidine-2,2'-disulfonic acid,6,6'-bimetanilic acid,4,4'-diaminobiphenyl-2,2'-disulfonic acid,benzidine-2,2'-disulphonic acid,4,4'-diamino-1,1'-biphenyl-2,2'-disulfonic acid,unii-alf643n2eq,benzidine, 2,2'-disulfo,4,4'-diamino-2,2'-biphenyldisulfonic acid PubChem CID: 8337 IUPAC Name: 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid SMILES: NC1=CC=C(C2=CC=C(N)C=C2S(O)(=O)=O)C(=C1)S(O)(=O)=O
| PubChem CID | 8337 |
|---|---|
| CAS | 117-61-3 |
| Molecular Weight (g/mol) | 344.36 |
| MDL Number | MFCD00041885 |
| SMILES | NC1=CC=C(C2=CC=C(N)C=C2S(O)(=O)=O)C(=C1)S(O)(=O)=O |
| Synonym | 2,2'-benzidinedisulfonic acid,2,2'-disulfobenzidine,benzidine-2,2'-disulfonic acid,6,6'-bimetanilic acid,4,4'-diaminobiphenyl-2,2'-disulfonic acid,benzidine-2,2'-disulphonic acid,4,4'-diamino-1,1'-biphenyl-2,2'-disulfonic acid,unii-alf643n2eq,benzidine, 2,2'-disulfo,4,4'-diamino-2,2'-biphenyldisulfonic acid |
| IUPAC Name | 5-amino-2-(4-amino-2-sulfophenyl)benzenesulfonic acid |
| InChI Key | MBJAPGAZEWPEFB-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O6S2 |
4,4'-Dimethylbenzophenone, 98+%
CAS: 611-97-2 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00017214 InChI Key: ZWPWLKXZYNXATK-UHFFFAOYSA-N Synonym: 4,4'-dimethylbenzophenone,p-tolyl ketone,bis 4-methylphenyl methanone,di-p-tolyl ketone,methanone, bis 4-methylphenyl,p,p'-dimethylbenzophenone,p,p'-dimethyl di-phenyl ketone,bis-p-tolylmethanone,benzophenone, 4,4'-dimethyl,4,4-dimethylbenzophenone PubChem CID: 69148 IUPAC Name: bis(4-methylphenyl)methanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
| PubChem CID | 69148 |
|---|---|
| CAS | 611-97-2 |
| Molecular Weight (g/mol) | 210.28 |
| MDL Number | MFCD00017214 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C |
| Synonym | 4,4'-dimethylbenzophenone,p-tolyl ketone,bis 4-methylphenyl methanone,di-p-tolyl ketone,methanone, bis 4-methylphenyl,p,p'-dimethylbenzophenone,p,p'-dimethyl di-phenyl ketone,bis-p-tolylmethanone,benzophenone, 4,4'-dimethyl,4,4-dimethylbenzophenone |
| IUPAC Name | bis(4-methylphenyl)methanone |
| InChI Key | ZWPWLKXZYNXATK-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
Toluene-2,6-diisocyanate, 97%
CAS: 91-08-7 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002010 InChI Key: RUELTTOHQODFPA-UHFFFAOYSA-N Synonym: 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene PubChem CID: 7040 ChEBI: CHEBI:53557 IUPAC Name: 1,3-diisocyanato-2-methylbenzene SMILES: CC1=C(C=CC=C1N=C=O)N=C=O
| PubChem CID | 7040 |
|---|---|
| CAS | 91-08-7 |
| Molecular Weight (g/mol) | 174.159 |
| ChEBI | CHEBI:53557 |
| MDL Number | MFCD00002010 |
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O |
| Synonym | 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene |
| IUPAC Name | 1,3-diisocyanato-2-methylbenzene |
| InChI Key | RUELTTOHQODFPA-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
4-Fluorophenylacetonitrile, 98+%
CAS: 459-22-3 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD00001917 InChI Key: JHQBLYITVCBGTO-UHFFFAOYSA-N Synonym: 4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl PubChem CID: 68016 IUPAC Name: 2-(4-fluorophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)F
| PubChem CID | 68016 |
|---|---|
| CAS | 459-22-3 |
| Molecular Weight (g/mol) | 135.141 |
| MDL Number | MFCD00001917 |
| SMILES | C1=CC(=CC=C1CC#N)F |
| Synonym | 4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl |
| IUPAC Name | 2-(4-fluorophenyl)acetonitrile |
| InChI Key | JHQBLYITVCBGTO-UHFFFAOYSA-N |
| Molecular Formula | C8H6FN |
Ethyl 3,4-dihydroxybenzoate, 97%
CAS: 3943-89-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002199 InChI Key: KBPUBCVJHFXPOC-UHFFFAOYSA-N Synonym: ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester PubChem CID: 77547 IUPAC Name: ethyl 3,4-dihydroxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(O)=C1
| PubChem CID | 77547 |
|---|---|
| CAS | 3943-89-3 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002199 |
| SMILES | CCOC(=O)C1=CC=C(O)C(O)=C1 |
| Synonym | ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester |
| IUPAC Name | ethyl 3,4-dihydroxybenzoate |
| InChI Key | KBPUBCVJHFXPOC-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
2-Bromo-6-chlorobenzoic acid, 98%
CAS: 93224-85-2 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00672929 InChI Key: URGXUQODOUMRFP-UHFFFAOYSA-N Synonym: 6-bromo-2-chlorobenzoic acid,2-chloro-6-bromobenzoic acid,benzoic acid, 2-bromo-6-chloro,2-bromo-6-chloro-benzoic acid,buttpark 51\01-28,akos msc-0781,2-bromo-6-chlorobenzoicacid,pubchem4048,acmc-209rkm,2-chloro-6-bromobenzoic PubChem CID: 33125 IUPAC Name: 2-bromo-6-chlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Br)C(=O)O)Cl
| PubChem CID | 33125 |
|---|---|
| CAS | 93224-85-2 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00672929 |
| SMILES | C1=CC(=C(C(=C1)Br)C(=O)O)Cl |
| Synonym | 6-bromo-2-chlorobenzoic acid,2-chloro-6-bromobenzoic acid,benzoic acid, 2-bromo-6-chloro,2-bromo-6-chloro-benzoic acid,buttpark 51\01-28,akos msc-0781,2-bromo-6-chlorobenzoicacid,pubchem4048,acmc-209rkm,2-chloro-6-bromobenzoic |
| IUPAC Name | 2-bromo-6-chlorobenzoic acid |
| InChI Key | URGXUQODOUMRFP-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
Diphenyl N-cyanocarbonimidate, 97%
CAS: 79463-77-7 Molecular Formula: C14H10N2O2 Molecular Weight (g/mol): 238.25 MDL Number: MFCD00010380 InChI Key: SLIKWVTWIGHFJE-UHFFFAOYSA-N Synonym: diphenyl n-cyanocarbonimidate,diphenyl cyanocarbonimidate,diphenoxymethylenecyanamide,n-cyano-diphenyl imidocarbonate,diphenylcyanocarbonimidate,cyanocarbonimidia acid diphenyl aester,n-cyanocarbonimidic acid diphenyl ester,bis phenoxy methylidenecyanamide,cyano diphenoxymethylidene amine,3,3-diphenoxy-2-azaprop-2-enenitrile PubChem CID: 688090 SMILES: N#CN=C(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 688090 |
|---|---|
| CAS | 79463-77-7 |
| Molecular Weight (g/mol) | 238.25 |
| MDL Number | MFCD00010380 |
| SMILES | N#CN=C(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | diphenyl n-cyanocarbonimidate,diphenyl cyanocarbonimidate,diphenoxymethylenecyanamide,n-cyano-diphenyl imidocarbonate,diphenylcyanocarbonimidate,cyanocarbonimidia acid diphenyl aester,n-cyanocarbonimidic acid diphenyl ester,bis phenoxy methylidenecyanamide,cyano diphenoxymethylidene amine,3,3-diphenoxy-2-azaprop-2-enenitrile |
| InChI Key | SLIKWVTWIGHFJE-UHFFFAOYSA-N |
| Molecular Formula | C14H10N2O2 |
2-Chlorobenzaldehyde, 99%
CAS: 89-98-5 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.57 MDL Number: MFCD00003304 InChI Key: FPYUJUBAXZAQNL-UHFFFAOYSA-N Synonym: o-chlorobenzaldehyde,chlorobenzaldehyde,benzaldehyde, 2-chloro,benzaldehyde, o-chloro,2-chlorbenzaldehyd,2-clorobenzaldeide,o-chloorbenzaldehyde,usaf m-7,2-chloorbenzaldehyde,o-chlorobenzenecarboxaldehyde PubChem CID: 6996 IUPAC Name: 2-chlorobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)Cl
| PubChem CID | 6996 |
|---|---|
| CAS | 89-98-5 |
| Molecular Weight (g/mol) | 140.57 |
| MDL Number | MFCD00003304 |
| SMILES | C1=CC=C(C(=C1)C=O)Cl |
| Synonym | o-chlorobenzaldehyde,chlorobenzaldehyde,benzaldehyde, 2-chloro,benzaldehyde, o-chloro,2-chlorbenzaldehyd,2-clorobenzaldeide,o-chloorbenzaldehyde,usaf m-7,2-chloorbenzaldehyde,o-chlorobenzenecarboxaldehyde |
| IUPAC Name | 2-chlorobenzaldehyde |
| InChI Key | FPYUJUBAXZAQNL-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO |
Anisonitrile, 99%
CAS: 874-90-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001818 InChI Key: XDJAAZYHCCRJOK-UHFFFAOYSA-N Synonym: anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile PubChem CID: 70129 IUPAC Name: 4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1)C#N
| PubChem CID | 70129 |
|---|---|
| CAS | 874-90-8 |
| Molecular Weight (g/mol) | 133.15 |
| MDL Number | MFCD00001818 |
| SMILES | COC1=CC=C(C=C1)C#N |
| Synonym | anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile |
| IUPAC Name | 4-methoxybenzonitrile |
| InChI Key | XDJAAZYHCCRJOK-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |