Benzene and substituted derivatives
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2,6-Dichlorobenzoyl chloride, 98%
CAS: 4659-45-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000662 InChI Key: JBLIDPPHFGWTKU-UHFFFAOYSA-N Synonym: benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 PubChem CID: 78392 IUPAC Name: 2,6-dichlorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl
| PubChem CID | 78392 |
|---|---|
| CAS | 4659-45-4 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00000662 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl |
| Synonym | benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 |
| IUPAC Name | 2,6-dichlorobenzoyl chloride |
| InChI Key | JBLIDPPHFGWTKU-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
4-Bromobenzamide, 97%, Thermo Scientific™
CAS: 698-67-9 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.03 MDL Number: MFCD00007991 InChI Key: ZRWNRAJCPNLYAK-UHFFFAOYSA-N Synonym: p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide PubChem CID: 69683 IUPAC Name: 4-bromobenzamide SMILES: C1=CC(=CC=C1C(=O)N)Br
| PubChem CID | 69683 |
|---|---|
| CAS | 698-67-9 |
| Molecular Weight (g/mol) | 200.03 |
| MDL Number | MFCD00007991 |
| SMILES | C1=CC(=CC=C1C(=O)N)Br |
| Synonym | p-bromobenzamide,benzamide, 4-bromo,benzamide, p-bromo,p-bromobenzoic acid amide,4-bromo-benzamide,4-bromo benzamide,pubchem3737,acmc-209obe,4-bromobenzamide,4-bromobenzoic acid amide |
| IUPAC Name | 4-bromobenzamide |
| InChI Key | ZRWNRAJCPNLYAK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
Methyl 5-chloro-2-methoxybenzoate, 98%
CAS: 33924-48-0 Molecular Formula: C9H9ClO3 Molecular Weight (g/mol): 200.618 MDL Number: MFCD00017511 InChI Key: HPTHYBXMNNGQEF-UHFFFAOYSA-N Synonym: methyl 5-chloro-o-anisate,methyl-5-chloro-2-methoxybenzoate,5-chloro-2-methoxybenzoic acid methyl ester,benzoic acid, 5-chloro-2-methoxy-, methyl ester,5-chloro-o-anisic acid methyl ester,5-chloro-2-methoxy-benzoic acid methyl ester,pubchem3709,methyl5-chloro-2-methoxybenzoate,acmc-1agpb,dsstox_cid_31509 PubChem CID: 118574 IUPAC Name: methyl 5-chloro-2-methoxybenzoate SMILES: COC1=C(C=C(C=C1)Cl)C(=O)OC
| PubChem CID | 118574 |
|---|---|
| CAS | 33924-48-0 |
| Molecular Weight (g/mol) | 200.618 |
| MDL Number | MFCD00017511 |
| SMILES | COC1=C(C=C(C=C1)Cl)C(=O)OC |
| Synonym | methyl 5-chloro-o-anisate,methyl-5-chloro-2-methoxybenzoate,5-chloro-2-methoxybenzoic acid methyl ester,benzoic acid, 5-chloro-2-methoxy-, methyl ester,5-chloro-o-anisic acid methyl ester,5-chloro-2-methoxy-benzoic acid methyl ester,pubchem3709,methyl5-chloro-2-methoxybenzoate,acmc-1agpb,dsstox_cid_31509 |
| IUPAC Name | methyl 5-chloro-2-methoxybenzoate |
| InChI Key | HPTHYBXMNNGQEF-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO3 |
4-Chlorobenzhydrazide, 98%
CAS: 536-40-3 Molecular Formula: C7H7ClN2O Molecular Weight (g/mol): 170.60 MDL Number: MFCD00007603 InChI Key: PKBGHORNUFQAAW-UHFFFAOYSA-N Synonym: 4-chlorobenzhydrazide,4-chlorobenzoylhydrazine,4-chlorobenzoic hydrazide,p-chlorobenzohydrazide,4-chlorobenzoic acid hydrazide,p-chlorobenzoylhydrazine,p-chlorobenzoic hydrazide,p-chlorobenzoyl hydrazide,4-chlorobenzoyl hydrazide,p-chlorobenzoic acid, hydrazide PubChem CID: 10816 IUPAC Name: 4-chlorobenzohydrazide SMILES: NNC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 10816 |
|---|---|
| CAS | 536-40-3 |
| Molecular Weight (g/mol) | 170.60 |
| MDL Number | MFCD00007603 |
| SMILES | NNC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4-chlorobenzhydrazide,4-chlorobenzoylhydrazine,4-chlorobenzoic hydrazide,p-chlorobenzohydrazide,4-chlorobenzoic acid hydrazide,p-chlorobenzoylhydrazine,p-chlorobenzoic hydrazide,p-chlorobenzoyl hydrazide,4-chlorobenzoyl hydrazide,p-chlorobenzoic acid, hydrazide |
| IUPAC Name | 4-chlorobenzohydrazide |
| InChI Key | PKBGHORNUFQAAW-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN2O |
4-Chlorobenzoic acid, 98+%
CAS: 74-11-3 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002531 InChI Key: XRHGYUZYPHTUJZ-UHFFFAOYSA-N Synonym: p-chlorobenzoic acid,benzoic acid, 4-chloro,p-chlorbenzoic acid,chlorodracylic acid,benzoic acid, p-chloro,para-chlorobenzoic acid,4-chloro-benzoic acid,p-carboxychlorobenzene,acido p-clorobenzoico,acido p-clorobenzoico italian PubChem CID: 6318 ChEBI: CHEBI:30747 IUPAC Name: 4-chlorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Cl
| PubChem CID | 6318 |
|---|---|
| CAS | 74-11-3 |
| Molecular Weight (g/mol) | 156.565 |
| ChEBI | CHEBI:30747 |
| MDL Number | MFCD00002531 |
| SMILES | C1=CC(=CC=C1C(=O)O)Cl |
| Synonym | p-chlorobenzoic acid,benzoic acid, 4-chloro,p-chlorbenzoic acid,chlorodracylic acid,benzoic acid, p-chloro,para-chlorobenzoic acid,4-chloro-benzoic acid,p-carboxychlorobenzene,acido p-clorobenzoico,acido p-clorobenzoico italian |
| IUPAC Name | 4-chlorobenzoic acid |
| InChI Key | XRHGYUZYPHTUJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
5-Fluorosalicylic acid, 97%
CAS: 345-16-4 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.112 MDL Number: MFCD00002456 InChI Key: JWPRICQKUNODPZ-UHFFFAOYSA-N Synonym: 5-fluorosalicylic acid,2-hydroxy-5-fluorobenzoic acid,benzoic acid, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxybenzoicacid,5-fluoro-2-hydroxy-benzoic acid,5fluorosalicylic acid,pubchem1382,5-fluoro-salicylic acid,2-carboxy-4-fluorophenol PubChem CID: 67658 IUPAC Name: 5-fluoro-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)O
| PubChem CID | 67658 |
|---|---|
| CAS | 345-16-4 |
| Molecular Weight (g/mol) | 156.112 |
| MDL Number | MFCD00002456 |
| SMILES | C1=CC(=C(C=C1F)C(=O)O)O |
| Synonym | 5-fluorosalicylic acid,2-hydroxy-5-fluorobenzoic acid,benzoic acid, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxybenzoicacid,5-fluoro-2-hydroxy-benzoic acid,5fluorosalicylic acid,pubchem1382,5-fluoro-salicylic acid,2-carboxy-4-fluorophenol |
| IUPAC Name | 5-fluoro-2-hydroxybenzoic acid |
| InChI Key | JWPRICQKUNODPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO3 |
Methyl 4-fluorobenzoate, 97%
CAS: 403-33-8 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00017959 InChI Key: MSEBQGULDWDIRW-UHFFFAOYSA-N Synonym: methyl p-fluorobenzoate,4-fluorobenzoic acid methyl ester,methyl 4-fluorobenzoic acid,benzoic acid, 4-fluoro-, methyl ester,methyl4-fluorobenzoate,methyl-4-fluorobenzoate,4-fluoro-benzoic acid methyl ester,pubchem3566,acmc-1aef0,asischem p32019 PubChem CID: 67878 IUPAC Name: methyl 4-fluorobenzoate SMILES: COC(=O)C1=CC=C(C=C1)F
| PubChem CID | 67878 |
|---|---|
| CAS | 403-33-8 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00017959 |
| SMILES | COC(=O)C1=CC=C(C=C1)F |
| Synonym | methyl p-fluorobenzoate,4-fluorobenzoic acid methyl ester,methyl 4-fluorobenzoic acid,benzoic acid, 4-fluoro-, methyl ester,methyl4-fluorobenzoate,methyl-4-fluorobenzoate,4-fluoro-benzoic acid methyl ester,pubchem3566,acmc-1aef0,asischem p32019 |
| IUPAC Name | methyl 4-fluorobenzoate |
| InChI Key | MSEBQGULDWDIRW-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
4-Bromo-2-fluorobenzoyl chloride, 98%
CAS: 151982-51-3 Molecular Formula: C7H3BrClFO Molecular Weight (g/mol): 237.452 MDL Number: MFCD03411584 InChI Key: PCFIABOQFAFDAU-UHFFFAOYSA-N PubChem CID: 2734026 IUPAC Name: 4-bromo-2-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1Br)F)C(=O)Cl
| PubChem CID | 2734026 |
|---|---|
| CAS | 151982-51-3 |
| Molecular Weight (g/mol) | 237.452 |
| MDL Number | MFCD03411584 |
| SMILES | C1=CC(=C(C=C1Br)F)C(=O)Cl |
| IUPAC Name | 4-bromo-2-fluorobenzoyl chloride |
| InChI Key | PCFIABOQFAFDAU-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClFO |
4-Aminosalicylic acid, 98+%
CAS: 65-49-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007789 InChI Key: WUBBRNOQWQTFEX-UHFFFAOYSA-N Synonym: 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil PubChem CID: 4649 ChEBI: CHEBI:27565 IUPAC Name: 4-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)O)C(=O)O
| PubChem CID | 4649 |
|---|---|
| CAS | 65-49-6 |
| Molecular Weight (g/mol) | 153.137 |
| ChEBI | CHEBI:27565 |
| MDL Number | MFCD00007789 |
| SMILES | C1=CC(=C(C=C1N)O)C(=O)O |
| Synonym | 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil |
| IUPAC Name | 4-amino-2-hydroxybenzoic acid |
| InChI Key | WUBBRNOQWQTFEX-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
Benzophenone imine, 97%, stabilized
CAS: 1013-88-3 Molecular Formula: C13H11N Molecular Weight (g/mol): 181.23 MDL Number: MFCD00001760 InChI Key: SXZIXHOMFPUIRK-UHFFFAOYSA-N Synonym: benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl PubChem CID: 136809 IUPAC Name: diphenylmethanimine SMILES: C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
| PubChem CID | 136809 |
|---|---|
| CAS | 1013-88-3 |
| Molecular Weight (g/mol) | 181.23 |
| MDL Number | MFCD00001760 |
| SMILES | C1=CC=C(C=C1)C(=N)C2=CC=CC=C2 |
| Synonym | benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl |
| IUPAC Name | diphenylmethanimine |
| InChI Key | SXZIXHOMFPUIRK-UHFFFAOYSA-N |
| Molecular Formula | C13H11N |
(R)-3-Boc-4-methyl-2,2-dioxo-1,2,3-oxathiazolidine, 97%, Thermo Scientific Chemicals
CAS: 1212136-00-9 Molecular Formula: C19H21NO7S Molecular Weight (g/mol): 407.437 MDL Number: MFCD09864994 InChI Key: RTHSATBSXDKZBN-QGZVFWFLSA-N Synonym: methyl r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2,3 oxathiazolidine-4-carboxylate,methyl 4r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2??,3-oxathiazolidine-4-carboxylate PubChem CID: 46172874 IUPAC Name: methyl (4R)-3-[bis(4-methoxyphenyl)methyl]-2,2-dioxooxathiazolidine-4-carboxylate SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3C(COS3(=O)=O)C(=O)OC
| PubChem CID | 46172874 |
|---|---|
| CAS | 1212136-00-9 |
| Molecular Weight (g/mol) | 407.437 |
| MDL Number | MFCD09864994 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3C(COS3(=O)=O)C(=O)OC |
| Synonym | methyl r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2,3 oxathiazolidine-4-carboxylate,methyl 4r-3-bis 4-methoxyphenyl methyl-2,2-dioxo-1,2??,3-oxathiazolidine-4-carboxylate |
| IUPAC Name | methyl (4R)-3-[bis(4-methoxyphenyl)methyl]-2,2-dioxooxathiazolidine-4-carboxylate |
| InChI Key | RTHSATBSXDKZBN-QGZVFWFLSA-N |
| Molecular Formula | C19H21NO7S |
Thermo Scientific Chemicals Fexofenadine hydrochloride
CAS: 153439-40-8 Molecular Formula: C32H40ClNO4 Molecular Weight (g/mol): 538.13 MDL Number: MFCD00865710 InChI Key: RRJFVPUCXDGFJB-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid chloride SMILES: [H+].[Cl-].CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
| CAS | 153439-40-8 |
|---|---|
| Molecular Weight (g/mol) | 538.13 |
| MDL Number | MFCD00865710 |
| SMILES | [H+].[Cl-].CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | hydrogen 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid chloride |
| InChI Key | RRJFVPUCXDGFJB-UHFFFAOYNA-N |
| Molecular Formula | C32H40ClNO4 |
5-Chloro-2-hydroxybenzamide, 97%
CAS: 7120-43-6 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007980 InChI Key: NNHMQZBVJPQCAK-UHFFFAOYSA-N Synonym: 5-chlorosalicylamide,chlorosalicylamide,benzamide, 5-chloro-2-hydroxy,5-chlorosalicyl-amide,acmc-209ohl,5chloro-2-hydroxy-benzamide,ksc498a5j,5-chloro-2-hydroxy-benzamide,#,5-chloranyl-2-oxidanyl-benzamide PubChem CID: 348094 IUPAC Name: 5-chloro-2-hydroxybenzamide SMILES: NC(=O)C1=CC(Cl)=CC=C1O
| PubChem CID | 348094 |
|---|---|
| CAS | 7120-43-6 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007980 |
| SMILES | NC(=O)C1=CC(Cl)=CC=C1O |
| Synonym | 5-chlorosalicylamide,chlorosalicylamide,benzamide, 5-chloro-2-hydroxy,5-chlorosalicyl-amide,acmc-209ohl,5chloro-2-hydroxy-benzamide,ksc498a5j,5-chloro-2-hydroxy-benzamide,#,5-chloranyl-2-oxidanyl-benzamide |
| IUPAC Name | 5-chloro-2-hydroxybenzamide |
| InChI Key | NNHMQZBVJPQCAK-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
4-Chloro-3,5-dinitrobenzoic acid, 97%
CAS: 118-97-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.559 MDL Number: MFCD00007080 InChI Key: PCTFIHOVQYYAMH-UHFFFAOYSA-N Synonym: 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176 PubChem CID: 8377 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O
| PubChem CID | 8377 |
|---|---|
| CAS | 118-97-8 |
| Molecular Weight (g/mol) | 246.559 |
| MDL Number | MFCD00007080 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O |
| Synonym | 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176 |
| InChI Key | PCTFIHOVQYYAMH-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClN2O6 |
Methyl 4-nitrobenzoate, 99%
CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 12083 |
|---|---|
| CAS | 619-50-1 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007350 |
| SMILES | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester |
| IUPAC Name | methyl 4-nitrobenzoate |
| InChI Key | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |