Benzene and substituted derivatives
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2,4-Dichlorobenzoyl chloride, 98%
CAS: 89-75-8 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000661 InChI Key: CEOCVKWBUWKBKA-UHFFFAOYSA-N Synonym: benzoyl chloride, 2,4-dichloro,2,4-dichlorobenzoylchloride,benzoylchloride, 2,4-dichloro,ccris 8616,acmc-1cuf7,dsstox_cid_31176,dsstox_gsid_52603,2,4-dichloro benzoylchloride,2.4-dichlorobenzoyl chloride,ksc450c2p PubChem CID: 66645 IUPAC Name: 2,4-dichlorobenzoyl chloride SMILES: ClC(=O)C1=CC=C(Cl)C=C1Cl
| PubChem CID | 66645 |
|---|---|
| CAS | 89-75-8 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00000661 |
| SMILES | ClC(=O)C1=CC=C(Cl)C=C1Cl |
| Synonym | benzoyl chloride, 2,4-dichloro,2,4-dichlorobenzoylchloride,benzoylchloride, 2,4-dichloro,ccris 8616,acmc-1cuf7,dsstox_cid_31176,dsstox_gsid_52603,2,4-dichloro benzoylchloride,2.4-dichlorobenzoyl chloride,ksc450c2p |
| IUPAC Name | 2,4-dichlorobenzoyl chloride |
| InChI Key | CEOCVKWBUWKBKA-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
Methyl 2-bromo-3-methylbenzoate, 98%
CAS: 131001-86-0 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00144762 InChI Key: QAOFGUXVDAZKBW-UHFFFAOYSA-N Synonym: 2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h PubChem CID: 10823279 IUPAC Name: methyl 2-bromo-3-methylbenzoate SMILES: COC(=O)C1=C(Br)C(C)=CC=C1
| PubChem CID | 10823279 |
|---|---|
| CAS | 131001-86-0 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00144762 |
| SMILES | COC(=O)C1=C(Br)C(C)=CC=C1 |
| Synonym | 2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h |
| IUPAC Name | methyl 2-bromo-3-methylbenzoate |
| InChI Key | QAOFGUXVDAZKBW-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4-Chloro-3-methylbenzoic acid, 98%
CAS: 7697-29-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045853 InChI Key: MRUKIIWRMSYKML-UHFFFAOYSA-N Synonym: 4-chloro-m-toluic acid,4-chloro-3-methyl-benzoic acid,4-chloro-3-methyl benzoic acid,benzoic acid, 4-chloro-3-methyl,m-toluic acid, 4-chloro,pubchem3666,5-carboxy-2-chlorotoluene,acmc-1bg77,ksc497q5r,4-chloranyl-3-methyl-benzoic acid PubChem CID: 282989 IUPAC Name: 4-chloro-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1Cl)C(O)=O
| PubChem CID | 282989 |
|---|---|
| CAS | 7697-29-2 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00045853 |
| SMILES | CC1=CC(=CC=C1Cl)C(O)=O |
| Synonym | 4-chloro-m-toluic acid,4-chloro-3-methyl-benzoic acid,4-chloro-3-methyl benzoic acid,benzoic acid, 4-chloro-3-methyl,m-toluic acid, 4-chloro,pubchem3666,5-carboxy-2-chlorotoluene,acmc-1bg77,ksc497q5r,4-chloranyl-3-methyl-benzoic acid |
| IUPAC Name | 4-chloro-3-methylbenzoic acid |
| InChI Key | MRUKIIWRMSYKML-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
4-Bromobenzhydrazide, 98+%
CAS: 5933-32-4 Molecular Formula: C7H7BrN2O Molecular Weight (g/mol): 215.05 MDL Number: MFCD00007602 InChI Key: UYIMBYKIIMYFPS-UHFFFAOYSA-N Synonym: 4-bromobenzhydrazide,p-bromobenzhydrazide,4-bromobenzoic hydrazide,p-bromobenzohydrazide,p-bromobenzoic acid hydrazide,4-bromobenzoylhydrazine,4-bromobenzoic acid hydrazide,benzoic acid, 4-bromo-, hydrazide,4-bromo-benzoic acid hydrazide,p-bromobenzoylhydrazine PubChem CID: 22219 IUPAC Name: 4-bromobenzohydrazide SMILES: C1=CC(=CC=C1C(=O)NN)Br
| PubChem CID | 22219 |
|---|---|
| CAS | 5933-32-4 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00007602 |
| SMILES | C1=CC(=CC=C1C(=O)NN)Br |
| Synonym | 4-bromobenzhydrazide,p-bromobenzhydrazide,4-bromobenzoic hydrazide,p-bromobenzohydrazide,p-bromobenzoic acid hydrazide,4-bromobenzoylhydrazine,4-bromobenzoic acid hydrazide,benzoic acid, 4-bromo-, hydrazide,4-bromo-benzoic acid hydrazide,p-bromobenzoylhydrazine |
| IUPAC Name | 4-bromobenzohydrazide |
| InChI Key | UYIMBYKIIMYFPS-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrN2O |
Benzyl Benzoate, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
| CAS | 120-51-4 |
|---|---|
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00003075 |
| SMILES | O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | benzyl benzoate |
| InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Ethyl 4-aminobenzoate, 98%
CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N Synonym: benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin PubChem CID: 2337 ChEBI: CHEBI:116735 IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 2337 |
|---|---|
| CAS | 94-09-7 |
| Molecular Weight (g/mol) | 165.19 |
| ChEBI | CHEBI:116735 |
| MDL Number | MFCD00007892 |
| SMILES | CCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | benzocaine,ethyl aminobenzoate,ethyl p-aminobenzoate,americaine,anesthesin,anaesthesin,ethoform,norcaine,orthesin,parathesin |
| IUPAC Name | ethyl 4-aminobenzoate |
| InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
| CAS | 7035-09-8 |
|---|---|
| MDL Number | MFCD00033854 |
4-(1,3-Thiazol-2-yl)benzaldehyde, 95%, Thermo Scientific™
CAS: 198904-53-9 Molecular Formula: C10H7NOS Molecular Weight (g/mol): 189.23 MDL Number: MFCD06797780 InChI Key: LQLBILPEELCFQI-UHFFFAOYSA-N PubChem CID: 10535655 IUPAC Name: 4-(1,3-thiazol-2-yl)benzaldehyde SMILES: O=CC1=CC=C(C=C1)C1=NC=CS1
| PubChem CID | 10535655 |
|---|---|
| CAS | 198904-53-9 |
| Molecular Weight (g/mol) | 189.23 |
| MDL Number | MFCD06797780 |
| SMILES | O=CC1=CC=C(C=C1)C1=NC=CS1 |
| IUPAC Name | 4-(1,3-thiazol-2-yl)benzaldehyde |
| InChI Key | LQLBILPEELCFQI-UHFFFAOYSA-N |
| Molecular Formula | C10H7NOS |
4-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde 97+%, Thermo Scientific™
CAS: 859850-94-5 Molecular Formula: C10H9N3O Molecular Weight (g/mol): 187.202 InChI Key: XEPIORKIFKJATD-UHFFFAOYSA-N Synonym: 4-1h-1,2,4-triazol-1-ylmethyl benzaldehyde,4-1,2,4-triazol-1-ylmethyl benzaldehyde,4-1,2,4-triazolylmethyl benzaldehyde,4-1h-1,2,4-triazol-1-yl methyl benzaldehyde,benzaldehyde,4-1h-1,2,4-triazol-1-ylmethyl PubChem CID: 7164655 IUPAC Name: 4-(1,2,4-triazol-1-ylmethyl)benzaldehyde SMILES: C1=CC(=CC=C1CN2C=NC=N2)C=O
| PubChem CID | 7164655 |
|---|---|
| CAS | 859850-94-5 |
| Molecular Weight (g/mol) | 187.202 |
| SMILES | C1=CC(=CC=C1CN2C=NC=N2)C=O |
| Synonym | 4-1h-1,2,4-triazol-1-ylmethyl benzaldehyde,4-1,2,4-triazol-1-ylmethyl benzaldehyde,4-1,2,4-triazolylmethyl benzaldehyde,4-1h-1,2,4-triazol-1-yl methyl benzaldehyde,benzaldehyde,4-1h-1,2,4-triazol-1-ylmethyl |
| IUPAC Name | 4-(1,2,4-triazol-1-ylmethyl)benzaldehyde |
| InChI Key | XEPIORKIFKJATD-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3O |
4-Chloro-2-fluorobenzaldehyde, 99%
CAS: 61072-56-8 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 InChI Key: UVGYSEIWAOOIJR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 PubChem CID: 2724908 IUPAC Name: 4-chloro-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)F)C=O
| PubChem CID | 2724908 |
|---|---|
| CAS | 61072-56-8 |
| Molecular Weight (g/mol) | 158.56 |
| SMILES | C1=CC(=C(C=C1Cl)F)C=O |
| Synonym | 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 |
| IUPAC Name | 4-chloro-2-fluorobenzaldehyde |
| InChI Key | UVGYSEIWAOOIJR-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
p-Anisaldehyde, 98%, Spectrum™ Chemical
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CAS: 123-11-5
| CAS | 123-11-5 |
|---|
3-(2-Furyl)benzaldehyde, ≥97%, Thermo Scientific™
CAS: 85553-52-2 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.18 MDL Number: MFCD03990461 InChI Key: BTAANNDAXIYWAN-UHFFFAOYSA-N Synonym: 3-2-furyl benzaldehyde,3-furan-2-yl benzaldehyde,3-furyl phenyl ketone,benzaldehyde, 3-2-furanyl,ketone, 3-furyl phenyl,3-furan-2-yl-benzaldehyde,3-furanylphenylmethanone,3-furfanylphenylmethanone,2-3-formylphenyl furan,3-2-furanyl benzaidehyde PubChem CID: 201640 IUPAC Name: 3-(furan-2-yl)benzaldehyde SMILES: O=CC1=CC=CC(=C1)C1=CC=CO1
| PubChem CID | 201640 |
|---|---|
| CAS | 85553-52-2 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD03990461 |
| SMILES | O=CC1=CC=CC(=C1)C1=CC=CO1 |
| Synonym | 3-2-furyl benzaldehyde,3-furan-2-yl benzaldehyde,3-furyl phenyl ketone,benzaldehyde, 3-2-furanyl,ketone, 3-furyl phenyl,3-furan-2-yl-benzaldehyde,3-furanylphenylmethanone,3-furfanylphenylmethanone,2-3-formylphenyl furan,3-2-furanyl benzaidehyde |
| IUPAC Name | 3-(furan-2-yl)benzaldehyde |
| InChI Key | BTAANNDAXIYWAN-UHFFFAOYSA-N |
| Molecular Formula | C11H8O2 |
(±)-Verapamil Hydrochloride, MP Biomedicals™
CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
| PubChem CID | 62969 |
|---|---|
| CAS | 152-11-4 |
| Molecular Weight (g/mol) | 491.069 |
| SMILES | CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl |
| Synonym | verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride |
| InChI Key | DOQPXTMNIUCOSY-UHFFFAOYSA-N |
| Molecular Formula | C27H39ClN2O4 |
3,3-Diphenylpropylamine, 97%
CAS: 5586-73-2 Molecular Formula: C15H17N Molecular Weight (g/mol): 211.308 MDL Number: MFCD00008202 InChI Key: KISZTEOELCMZPY-UHFFFAOYSA-N Synonym: 3,3-diphenylpropylamine,benzenepropanamine, .gamma.-phenyl,3-3-diphenylpropylamine,3,3-diphenylpropan-1-amin,acmc-209lpx,3.3-diphenylpropylamine,3,3 diphenylpropylamine,3,3-diphenyl propylamine,3,3-diphenyl-propylamine,3,3-diphenylpropylamine e PubChem CID: 79698 IUPAC Name: 3,3-diphenylpropan-1-amine SMILES: C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2
| PubChem CID | 79698 |
|---|---|
| CAS | 5586-73-2 |
| Molecular Weight (g/mol) | 211.308 |
| MDL Number | MFCD00008202 |
| SMILES | C1=CC=C(C=C1)C(CCN)C2=CC=CC=C2 |
| Synonym | 3,3-diphenylpropylamine,benzenepropanamine, .gamma.-phenyl,3-3-diphenylpropylamine,3,3-diphenylpropan-1-amin,acmc-209lpx,3.3-diphenylpropylamine,3,3 diphenylpropylamine,3,3-diphenyl propylamine,3,3-diphenyl-propylamine,3,3-diphenylpropylamine e |
| IUPAC Name | 3,3-diphenylpropan-1-amine |
| InChI Key | KISZTEOELCMZPY-UHFFFAOYSA-N |
| Molecular Formula | C15H17N |
4-Chlorobenzhydryl chloride, 97%
CAS: 134-83-8 Molecular Formula: C13H10Cl2 Molecular Weight (g/mol): 237.123 MDL Number: MFCD00000856 InChI Key: ALKWTKGPKKAZMN-UHFFFAOYSA-N Synonym: 4-chlorobenzhydryl chloride,4-chlorobenzhydrylchloride,p-chlorobenzhydryl chloride,1-chloro-4-chloro phenyl methyl benzene,benzene, 1-chloro-4-chlorophenylmethyl,chloro 4-chlorophenyl phenylmethane,chloro p-chlorophenyl phenylmethane,methane, chloro p-chlorophenyl phenyl,1-chloro-4-chlorophenylmethyl benzene PubChem CID: 241584 IUPAC Name: 1-chloro-4-[chloro(phenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)Cl
| PubChem CID | 241584 |
|---|---|
| CAS | 134-83-8 |
| Molecular Weight (g/mol) | 237.123 |
| MDL Number | MFCD00000856 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)Cl |
| Synonym | 4-chlorobenzhydryl chloride,4-chlorobenzhydrylchloride,p-chlorobenzhydryl chloride,1-chloro-4-chloro phenyl methyl benzene,benzene, 1-chloro-4-chlorophenylmethyl,chloro 4-chlorophenyl phenylmethane,chloro p-chlorophenyl phenylmethane,methane, chloro p-chlorophenyl phenyl,1-chloro-4-chlorophenylmethyl benzene |
| IUPAC Name | 1-chloro-4-[chloro(phenyl)methyl]benzene |
| InChI Key | ALKWTKGPKKAZMN-UHFFFAOYSA-N |
| Molecular Formula | C13H10Cl2 |