Benzene and substituted derivatives
Filtered Search Results
O-Acetylsalicyloyl chloride, 97%
CAS: 5538-51-2 Molecular Formula: C9H7ClO3 Molecular Weight (g/mol): 198.602 MDL Number: MFCD00000663 InChI Key: DSGKWFGEUBCEIE-UHFFFAOYSA-N Synonym: 2-acetoxybenzoyl chloride,o-acetylsalicyloyl chloride,acetylsalicyloyl chloride,2-chlorocarbonyl phenyl acetate,benzoyl chloride, 2-acetyloxy,aspirin chloride,o-acetylsalicyloylchloride,acetylsalicoyl chloride,2-carbonochloridoyl phenyl acetate,ascc PubChem CID: 79668 IUPAC Name: (2-carbonochloridoylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(=O)Cl
| PubChem CID | 79668 |
|---|---|
| CAS | 5538-51-2 |
| Molecular Weight (g/mol) | 198.602 |
| MDL Number | MFCD00000663 |
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)Cl |
| Synonym | 2-acetoxybenzoyl chloride,o-acetylsalicyloyl chloride,acetylsalicyloyl chloride,2-chlorocarbonyl phenyl acetate,benzoyl chloride, 2-acetyloxy,aspirin chloride,o-acetylsalicyloylchloride,acetylsalicoyl chloride,2-carbonochloridoyl phenyl acetate,ascc |
| IUPAC Name | (2-carbonochloridoylphenyl) acetate |
| InChI Key | DSGKWFGEUBCEIE-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO3 |
Benzyltri-n-propylammonium chloride, 96%
CAS: 5197-87-5 Molecular Formula: C16H28ClN Molecular Weight (g/mol): 269.86 MDL Number: MFCD00051869 InChI Key: YTRIOKYQEVFKGU-UHFFFAOYSA-M Synonym: benzyltripropylammonium chloride,n-benzyl-n,n-dipropylpropan-1-aminium chloride,benzyl tripropyl ammonium chloride,benzyltri-n-propylammonium chloride,benzyltripropylazanium chloride,benzyl tripropyl azanium chloride,acmc-20alov,c16h28n.cl,benzyl-tri-n-propylammonium chloride PubChem CID: 6097067 IUPAC Name: benzyltripropylazanium chloride SMILES: [Cl-].CCC[N+](CCC)(CCC)CC1=CC=CC=C1
| PubChem CID | 6097067 |
|---|---|
| CAS | 5197-87-5 |
| Molecular Weight (g/mol) | 269.86 |
| MDL Number | MFCD00051869 |
| SMILES | [Cl-].CCC[N+](CCC)(CCC)CC1=CC=CC=C1 |
| Synonym | benzyltripropylammonium chloride,n-benzyl-n,n-dipropylpropan-1-aminium chloride,benzyl tripropyl ammonium chloride,benzyltri-n-propylammonium chloride,benzyltripropylazanium chloride,benzyl tripropyl azanium chloride,acmc-20alov,c16h28n.cl,benzyl-tri-n-propylammonium chloride |
| IUPAC Name | benzyltripropylazanium chloride |
| InChI Key | YTRIOKYQEVFKGU-UHFFFAOYSA-M |
| Molecular Formula | C16H28ClN |
Fluoxetine hydrochloride, 99%
CAS: 56296-78-7 Molecular Formula: C17H19ClF3NO Molecular Weight (g/mol): 345.79 MDL Number: MFCD00214288 InChI Key: GIYXAJPCNFJEHY-UHFFFAOYSA-N Synonym: fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan PubChem CID: 62857 IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl
| PubChem CID | 62857 |
|---|---|
| CAS | 56296-78-7 |
| Molecular Weight (g/mol) | 345.79 |
| MDL Number | MFCD00214288 |
| SMILES | CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F.Cl |
| Synonym | fluoxetine hydrochloride,prozac,fluoxetine hcl,sarafem,flunirin,fluoxeren,adofen,fluctin,lovan |
| IUPAC Name | N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride |
| InChI Key | GIYXAJPCNFJEHY-UHFFFAOYSA-N |
| Molecular Formula | C17H19ClF3NO |
MilliporeSigma™ 5,5'-Dithio-bis-(2-nitrobenzoic Acid), Calbiochem™,
CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
| PubChem CID | 6254 |
|---|---|
| CAS | 69-78-3 |
| Molecular Weight (g/mol) | 396.34 |
| ChEBI | CHEBI:86228 |
| MDL Number | MFCD00007140 |
| SMILES | OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O |
| Synonym | dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid |
| IUPAC Name | 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid |
| InChI Key | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2O8S2 |
1-Phenoxy-2-propanol, tech. 85%
CAS: 770-35-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016861 InChI Key: IBLKWZIFZMJLFL-UHFFFAOYNA-N Synonym: 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312 PubChem CID: 92839 IUPAC Name: 1-phenoxypropan-2-ol SMILES: CC(O)COC1=CC=CC=C1
| PubChem CID | 92839 |
|---|---|
| CAS | 770-35-4 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00016861 |
| SMILES | CC(O)COC1=CC=CC=C1 |
| Synonym | 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312 |
| IUPAC Name | 1-phenoxypropan-2-ol |
| InChI Key | IBLKWZIFZMJLFL-UHFFFAOYNA-N |
| Molecular Formula | C9H12O2 |
2,4-Difluoro-1-iodobenzene, 99%
CAS: 2265-93-2 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.99 MDL Number: MFCD00040151 InChI Key: YKLDMAPEGQYZRT-UHFFFAOYSA-N Synonym: 2,4-difluoroiodobenzene,1,3-difluoro-4-iodobenzene,2,4-difluoro-1-iodobenze,benzene, 2,4-difluoro-1-iodo,2,4-difluoro iodobenzene,2,4-difluoro-1-iodo-benzene,pubchem3463,2,4-difluoro-iodobenzene,acmc-1cq0v,intermediates-zcf02607 PubChem CID: 137519 IUPAC Name: 2,4-difluoro-1-iodobenzene SMILES: FC1=CC=C(I)C(F)=C1
| PubChem CID | 137519 |
|---|---|
| CAS | 2265-93-2 |
| Molecular Weight (g/mol) | 239.99 |
| MDL Number | MFCD00040151 |
| SMILES | FC1=CC=C(I)C(F)=C1 |
| Synonym | 2,4-difluoroiodobenzene,1,3-difluoro-4-iodobenzene,2,4-difluoro-1-iodobenze,benzene, 2,4-difluoro-1-iodo,2,4-difluoro iodobenzene,2,4-difluoro-1-iodo-benzene,pubchem3463,2,4-difluoro-iodobenzene,acmc-1cq0v,intermediates-zcf02607 |
| IUPAC Name | 2,4-difluoro-1-iodobenzene |
| InChI Key | YKLDMAPEGQYZRT-UHFFFAOYSA-N |
| Molecular Formula | C6H3F2I |
Phenyl phosphorodiamidate, 97%
CAS: 7450-69-3 Molecular Formula: C6H9N2O2P Molecular Weight (g/mol): 172.124 MDL Number: MFCD00014767 InChI Key: AYRRNFHDJUXLEQ-UHFFFAOYSA-N Synonym: phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one PubChem CID: 81954 IUPAC Name: diaminophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(N)N
| PubChem CID | 81954 |
|---|---|
| CAS | 7450-69-3 |
| Molecular Weight (g/mol) | 172.124 |
| MDL Number | MFCD00014767 |
| SMILES | C1=CC=C(C=C1)OP(=O)(N)N |
| Synonym | phenyl phosphorodiamidate,phenylphosphorodiamidate,phenyl diamidophosphate,phosphorodiamidic acid, phenyl ester,diaminophosphoryl oxy benzene,phenylphosphorodiamidat,phosphoric phenyl ester diamide,phenyl phosphordiamidate,phenyl diamidophosphate #,diaminophenoxyphosphino-1-one |
| IUPAC Name | diaminophosphoryloxybenzene |
| InChI Key | AYRRNFHDJUXLEQ-UHFFFAOYSA-N |
| Molecular Formula | C6H9N2O2P |
3,5-Bis(trifluoromethyl)phenylacetic acid, 97%
CAS: 85068-33-3 Molecular Formula: C10H6F6O2 Molecular Weight (g/mol): 272.15 MDL Number: MFCD00009908 InChI Key: PAWSKKHEEYTXSA-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylacetic acid,2-3,5-bis trifluoromethyl phenyl acetic acid,3,5-bis-trifluoromethylphenylacetic acid,mbt-paa,2-3,5-di trifluoromethyl phenyl acetic acid,benzeneacetic acid, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenyl acetic acid,3,5-di trifluoromethyl phenylacetic acid,3,5-bis trifluoromethyl phenylaceticacid PubChem CID: 123587 IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 123587 |
|---|---|
| CAS | 85068-33-3 |
| Molecular Weight (g/mol) | 272.15 |
| MDL Number | MFCD00009908 |
| SMILES | OC(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl phenylacetic acid,2-3,5-bis trifluoromethyl phenyl acetic acid,3,5-bis-trifluoromethylphenylacetic acid,mbt-paa,2-3,5-di trifluoromethyl phenyl acetic acid,benzeneacetic acid, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenyl acetic acid,3,5-di trifluoromethyl phenylacetic acid,3,5-bis trifluoromethyl phenylaceticacid |
| IUPAC Name | 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid |
| InChI Key | PAWSKKHEEYTXSA-UHFFFAOYSA-N |
| Molecular Formula | C10H6F6O2 |
4-Ethylbenzaldehyde, 97%
CAS: 4748-78-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00006956 InChI Key: QNGNSVIICDLXHT-UHFFFAOYSA-N Synonym: p-ethylbenzaldehyde,benzaldehyde, 4-ethyl,4-ethyl benzaldehyde,4-ethyl-benzaldehyde,ebal,ethyl benzaldehyde,ethyl-benzaldehyde,unii-289ppw3sg4,benzaldehyde,4-ethyl,ethylbenzaldehyde, p PubChem CID: 20861 IUPAC Name: 4-ethylbenzaldehyde SMILES: CCC1=CC=C(C=C1)C=O
| PubChem CID | 20861 |
|---|---|
| CAS | 4748-78-1 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00006956 |
| SMILES | CCC1=CC=C(C=C1)C=O |
| Synonym | p-ethylbenzaldehyde,benzaldehyde, 4-ethyl,4-ethyl benzaldehyde,4-ethyl-benzaldehyde,ebal,ethyl benzaldehyde,ethyl-benzaldehyde,unii-289ppw3sg4,benzaldehyde,4-ethyl,ethylbenzaldehyde, p |
| IUPAC Name | 4-ethylbenzaldehyde |
| InChI Key | QNGNSVIICDLXHT-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%
CAS: 20445-31-2 Molecular Formula: C10H9F3O3 Molecular Weight (g/mol): 234.17 MDL Number: MFCD00004184 InChI Key: JJYKJUXBWFATTE-UHFFFAOYNA-N PubChem CID: 2723917 SMILES: COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F
| PubChem CID | 2723917 |
|---|---|
| CAS | 20445-31-2 |
| Molecular Weight (g/mol) | 234.17 |
| MDL Number | MFCD00004184 |
| SMILES | COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F |
| InChI Key | JJYKJUXBWFATTE-UHFFFAOYNA-N |
| Molecular Formula | C10H9F3O3 |
1-(Phenylsulfonyl)indole, 98%
CAS: 40899-71-6 Molecular Formula: C14H11NO2S Molecular Weight (g/mol): 257.31 MDL Number: MFCD00134318 InChI Key: VDWLCYCWLIKWBV-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl-1h-indole,1-phenylsulfonyl indole,1-benzenesulfonyl indole,1-benzenesulfonyl-1h-indole,n-phenylsulfonylindole,1-phenylsulphonyl indole,1-phenylsulfonyl-indole,chembl82224 PubChem CID: 315017 IUPAC Name: 1-(benzenesulfonyl)indole SMILES: O=S(=O)(N1C=CC2=CC=CC=C12)C1=CC=CC=C1
| PubChem CID | 315017 |
|---|---|
| CAS | 40899-71-6 |
| Molecular Weight (g/mol) | 257.31 |
| MDL Number | MFCD00134318 |
| SMILES | O=S(=O)(N1C=CC2=CC=CC=C12)C1=CC=CC=C1 |
| Synonym | 1-phenylsulfonyl-1h-indole,1-phenylsulfonyl indole,1-benzenesulfonyl indole,1-benzenesulfonyl-1h-indole,n-phenylsulfonylindole,1-phenylsulphonyl indole,1-phenylsulfonyl-indole,chembl82224 |
| IUPAC Name | 1-(benzenesulfonyl)indole |
| InChI Key | VDWLCYCWLIKWBV-UHFFFAOYSA-N |
| Molecular Formula | C14H11NO2S |
4-Bromo-2-methylbenzoic acid, 98+%
CAS: 68837-59-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00040905 InChI Key: RVCJOGNLYVNRDN-UHFFFAOYSA-N Synonym: 2-methyl-4-bromobenzoic acid,4-bromo-o-toluic acid,4-bromo-2-methyl-benzoic acid,benzoic acid, 4-bromo-2-methyl,synquest 2721-9-x6,4-bromo-2-methylbenz,4-bromo-2-methylbenzoicacid,pubchem4029,5-bromo-2-carboxytoluene,acmc-1baz5 PubChem CID: 99570 IUPAC Name: 4-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Br)C(=O)O
| PubChem CID | 99570 |
|---|---|
| CAS | 68837-59-2 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00040905 |
| SMILES | CC1=C(C=CC(=C1)Br)C(=O)O |
| Synonym | 2-methyl-4-bromobenzoic acid,4-bromo-o-toluic acid,4-bromo-2-methyl-benzoic acid,benzoic acid, 4-bromo-2-methyl,synquest 2721-9-x6,4-bromo-2-methylbenz,4-bromo-2-methylbenzoicacid,pubchem4029,5-bromo-2-carboxytoluene,acmc-1baz5 |
| IUPAC Name | 4-bromo-2-methylbenzoic acid |
| InChI Key | RVCJOGNLYVNRDN-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
4-Allylanisole, 98%
CAS: 140-67-0 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00008653 InChI Key: ZFMSMUAANRJZFM-UHFFFAOYSA-N Synonym: estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon PubChem CID: 8815 ChEBI: CHEBI:4867 IUPAC Name: 1-methoxy-4-prop-2-enylbenzene SMILES: COC1=CC=C(C=C1)CC=C
| PubChem CID | 8815 |
|---|---|
| CAS | 140-67-0 |
| Molecular Weight (g/mol) | 148.2 |
| ChEBI | CHEBI:4867 |
| MDL Number | MFCD00008653 |
| SMILES | COC1=CC=C(C=C1)CC=C |
| Synonym | estragole,4-allylanisole,p-allylanisole,tarragon,methyl chavicol,1-allyl-4-methoxybenzene,estragol,esdragol,esdragole,esdragon |
| IUPAC Name | 1-methoxy-4-prop-2-enylbenzene |
| InChI Key | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
4-Bromoanisole, 98%
CAS: 104-92-7 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br
| PubChem CID | 7730 |
|---|---|
| CAS | 104-92-7 |
| Molecular Weight (g/mol) | 187.04 |
| ChEBI | CHEBI:47257 |
| MDL Number | MFCD00000097 |
| SMILES | COC1=CC=C(C=C1)Br |
| Synonym | 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide |
| IUPAC Name | 1-bromo-4-methoxybenzene |
| InChI Key | QJPJQTDYNZXKQF-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
3-[3-(chloromethyl)phenyl]-1-methyl-1H-pyrazole, Tech., Thermo Scientific™
CAS: 912569-61-0 Molecular Formula: C11H11ClN2 Molecular Weight (g/mol): 206.673 MDL Number: MFCD09702402 InChI Key: XEIKNZPKJWESHW-UHFFFAOYSA-N Synonym: 3-3-chloromethyl phenyl-1-methyl-1h-pyrazole,3-3-chloromethyl phenyl-1-methylpyrazole PubChem CID: 24229632 IUPAC Name: 3-[3-(chloromethyl)phenyl]-1-methylpyrazole SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)CCl
| PubChem CID | 24229632 |
|---|---|
| CAS | 912569-61-0 |
| Molecular Weight (g/mol) | 206.673 |
| MDL Number | MFCD09702402 |
| SMILES | CN1C=CC(=N1)C2=CC(=CC=C2)CCl |
| Synonym | 3-3-chloromethyl phenyl-1-methyl-1h-pyrazole,3-3-chloromethyl phenyl-1-methylpyrazole |
| IUPAC Name | 3-[3-(chloromethyl)phenyl]-1-methylpyrazole |
| InChI Key | XEIKNZPKJWESHW-UHFFFAOYSA-N |
| Molecular Formula | C11H11ClN2 |