Benzene and substituted derivatives
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4-(Bromomethyl)-3-fluorobenzonitrile 98.0+%, TCI America™
CAS: 105942-09-4 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.04 MDL Number: MFCD07368341 InChI Key: ZESZAIOGACKOMB-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-fluorobenzonitrile,4-cyano-2-fluorobenzyl bromide,2-fluoro-4-cyanobenzyl bromide,2-fluoro-4-cyanbenzyl bromide,benzonitrile, 4-bromomethyl-3-fluoro,2-fluoro-4-cyanobenzylbromide,3-fluoro-4-bromomethyl benzonitrile,4-bromomethyl-3-fluoro-benzonitrile,4-bromomethyl-3-fluorobenzenecarbonitrile,pubchem4907 PubChem CID: 2783149 IUPAC Name: 4-(bromomethyl)-3-fluorobenzonitrile SMILES: FC1=C(CBr)C=CC(=C1)C#N
| PubChem CID | 2783149 |
|---|---|
| CAS | 105942-09-4 |
| Molecular Weight (g/mol) | 214.04 |
| MDL Number | MFCD07368341 |
| SMILES | FC1=C(CBr)C=CC(=C1)C#N |
| Synonym | 4-bromomethyl-3-fluorobenzonitrile,4-cyano-2-fluorobenzyl bromide,2-fluoro-4-cyanobenzyl bromide,2-fluoro-4-cyanbenzyl bromide,benzonitrile, 4-bromomethyl-3-fluoro,2-fluoro-4-cyanobenzylbromide,3-fluoro-4-bromomethyl benzonitrile,4-bromomethyl-3-fluoro-benzonitrile,4-bromomethyl-3-fluorobenzenecarbonitrile,pubchem4907 |
| IUPAC Name | 4-(bromomethyl)-3-fluorobenzonitrile |
| InChI Key | ZESZAIOGACKOMB-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrFN |
2-Chloro-5-methoxyaniline 98.0+%, TCI America™
CAS: 2401-24-3 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.597 MDL Number: MFCD00047830 InChI Key: GBOUQGUQUUPGLO-UHFFFAOYSA-N Synonym: 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038 PubChem CID: 75460 IUPAC Name: 2-chloro-5-methoxyaniline SMILES: COC1=CC(=C(C=C1)Cl)N
| PubChem CID | 75460 |
|---|---|
| CAS | 2401-24-3 |
| Molecular Weight (g/mol) | 157.597 |
| MDL Number | MFCD00047830 |
| SMILES | COC1=CC(=C(C=C1)Cl)N |
| Synonym | 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038 |
| IUPAC Name | 2-chloro-5-methoxyaniline |
| InChI Key | GBOUQGUQUUPGLO-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClNO |
3-Bromo-5-nitrosalicylaldehyde 95.0+%, TCI America™
CAS: 16789-84-7 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD00051833 InChI Key: BESBCGANGAEHPM-UHFFFAOYSA-N Synonym: 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde PubChem CID: 519307 IUPAC Name: 3-bromo-2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O
| PubChem CID | 519307 |
|---|---|
| CAS | 16789-84-7 |
| Molecular Weight (g/mol) | 246.02 |
| MDL Number | MFCD00051833 |
| SMILES | OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O |
| Synonym | 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde |
| IUPAC Name | 3-bromo-2-hydroxy-5-nitrobenzaldehyde |
| InChI Key | BESBCGANGAEHPM-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
Monoethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate 96.0+%, TCI America™
CAS: 66165-37-5 Molecular Formula: C17H29O4P Molecular Weight (g/mol): 328.39 MDL Number: MFCD06797098 InChI Key: WBSRIXCTCFFHEF-UHFFFAOYNA-N Synonym: 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester, Ethyl Hydrogen 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate PubChem CID: 92274 IUPAC Name: [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl](ethoxy)phosphinic acid SMILES: CCOP(O)(=O)CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
| PubChem CID | 92274 |
|---|---|
| CAS | 66165-37-5 |
| Molecular Weight (g/mol) | 328.39 |
| MDL Number | MFCD06797098 |
| SMILES | CCOP(O)(=O)CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C |
| Synonym | 3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Monoethyl Ester, Ethyl Hydrogen 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate |
| IUPAC Name | [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl](ethoxy)phosphinic acid |
| InChI Key | WBSRIXCTCFFHEF-UHFFFAOYNA-N |
| Molecular Formula | C17H29O4P |
Diphenylmethane 99.0+%, TCI America™
CAS: 101-81-5 Molecular Formula: C13H12 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00004781 InChI Key: CZZYITDELCSZES-UHFFFAOYSA-N Synonym: diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene PubChem CID: 7580 ChEBI: CHEBI:38884 IUPAC Name: benzylbenzene SMILES: C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7580 |
|---|---|
| CAS | 101-81-5 |
| Molecular Weight (g/mol) | 168.24 |
| ChEBI | CHEBI:38884 |
| MDL Number | MFCD00004781 |
| SMILES | C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene |
| IUPAC Name | benzylbenzene |
| InChI Key | CZZYITDELCSZES-UHFFFAOYSA-N |
| Molecular Formula | C13H12 |
Dicumyl Peroxide (contains ca. 60% CaCO3), TCI America™
CAS: 80-43-3 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.372 MDL Number: MFCD00036227 InChI Key: XMNIXWIUMCBBBL-UHFFFAOYSA-N Synonym: dicumyl peroxide,cumene peroxide,cumyl peroxide,percumyl d,perkadox b,diisopropylbenzene peroxide,perkadox bc,perkadox sb,dicumenyl peroxide,peroxide, bis 1-methyl-1-phenylethyl PubChem CID: 6641 IUPAC Name: 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene SMILES: CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2
| PubChem CID | 6641 |
|---|---|
| CAS | 80-43-3 |
| Molecular Weight (g/mol) | 270.372 |
| MDL Number | MFCD00036227 |
| SMILES | CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2 |
| Synonym | dicumyl peroxide,cumene peroxide,cumyl peroxide,percumyl d,perkadox b,diisopropylbenzene peroxide,perkadox bc,perkadox sb,dicumenyl peroxide,peroxide, bis 1-methyl-1-phenylethyl |
| IUPAC Name | 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene |
| InChI Key | XMNIXWIUMCBBBL-UHFFFAOYSA-N |
| Molecular Formula | C18H22O2 |
4-Bromobenzylamine 98.0+%, TCI America™
CAS: 3959-07-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00047931 InChI Key: XRNVSPDQTPVECU-UHFFFAOYSA-N PubChem CID: 77571 IUPAC Name: (4-bromophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Br
| PubChem CID | 77571 |
|---|---|
| CAS | 3959-07-7 |
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD00047931 |
| SMILES | C1=CC(=CC=C1CN)Br |
| IUPAC Name | (4-bromophenyl)methanamine |
| InChI Key | XRNVSPDQTPVECU-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
2,4-Dichlorophenoxyacetic Acid 97.0+%, TCI America™
CAS: 94-75-7 Molecular Formula: C8H6Cl2O3 Molecular Weight (g/mol): 221.033 MDL Number: MFCD00004300 InChI Key: OVSKIKFHRZPJSS-UHFFFAOYSA-N Synonym: 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon PubChem CID: 1486 ChEBI: CHEBI:28854 IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
| PubChem CID | 1486 |
|---|---|
| CAS | 94-75-7 |
| Molecular Weight (g/mol) | 221.033 |
| ChEBI | CHEBI:28854 |
| MDL Number | MFCD00004300 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)O |
| Synonym | 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon |
| IUPAC Name | 2-(2,4-dichlorophenoxy)acetic acid |
| InChI Key | OVSKIKFHRZPJSS-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O3 |
Ethyl 3,4-Dihydroxybenzoate 98.0+%, TCI America™
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-Fluorobenzaldehyde 98.0+%, TCI America™
CAS: 446-52-6 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 MDL Number: MFCD00003302 InChI Key: ZWDVQMVZZYIAHO-UHFFFAOYSA-N Synonym: o-fluorobenzaldehyde,benzaldehyde, 2-fluoro,benzaldehyde, o-fluoro,unii-7zx20dxb9z,2-fluor-benzaldehyd,2-fluoro-benzaldehyde,benzaldehyde, fluoro,ortho-fluorobenzaldehyde,7zx20dxb9z,fluorobenzaldehyde PubChem CID: 67970 IUPAC Name: 2-fluorobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)F
| PubChem CID | 67970 |
|---|---|
| CAS | 446-52-6 |
| Molecular Weight (g/mol) | 124.114 |
| MDL Number | MFCD00003302 |
| SMILES | C1=CC=C(C(=C1)C=O)F |
| Synonym | o-fluorobenzaldehyde,benzaldehyde, 2-fluoro,benzaldehyde, o-fluoro,unii-7zx20dxb9z,2-fluor-benzaldehyd,2-fluoro-benzaldehyde,benzaldehyde, fluoro,ortho-fluorobenzaldehyde,7zx20dxb9z,fluorobenzaldehyde |
| IUPAC Name | 2-fluorobenzaldehyde |
| InChI Key | ZWDVQMVZZYIAHO-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO |
Benzoylthiocholine Iodide 98.0+%, TCI America™
CAS: 10561-14-5 Molecular Formula: C12H18INOS Molecular Weight (g/mol): 351.25 MDL Number: MFCD00059970 InChI Key: PCGVSJGEHWZOBK-UHFFFAOYSA-M PubChem CID: 13960252 IUPAC Name: [2-(benzoylsulfanyl)ethyl]trimethylazanium iodide SMILES: [I-].C[N+](C)(C)CCSC(=O)C1=CC=CC=C1
| PubChem CID | 13960252 |
|---|---|
| CAS | 10561-14-5 |
| Molecular Weight (g/mol) | 351.25 |
| MDL Number | MFCD00059970 |
| SMILES | [I-].C[N+](C)(C)CCSC(=O)C1=CC=CC=C1 |
| IUPAC Name | [2-(benzoylsulfanyl)ethyl]trimethylazanium iodide |
| InChI Key | PCGVSJGEHWZOBK-UHFFFAOYSA-M |
| Molecular Formula | C12H18INOS |
4-Bromobenzylamine Hydrochloride 97.0+%, TCI America™
CAS: 26177-44-6 Molecular Formula: C7H9BrClN Molecular Weight (g/mol): 222.51 MDL Number: MFCD00012860 InChI Key: BVYUYDBWQMSOKM-UHFFFAOYSA-N Synonym: 4-bromobenzylamine hydrochloride,4-bromophenyl methanamine hydrochloride,4-bromobenzylamine hcl,4-bba x hcl,4-bromo-benzylamine hydrochloride,p-bromobenzylamine hydrochloride,benzenemethanamine, 4-bromo-, hydrochloride,pubchem3751,acmc-1cfrz,4-bromobenzylamine, hcl PubChem CID: 2724096 IUPAC Name: hydrogen 1-(4-bromophenyl)methanamine chloride SMILES: [H+].[Cl-].NCC1=CC=C(Br)C=C1
| PubChem CID | 2724096 |
|---|---|
| CAS | 26177-44-6 |
| Molecular Weight (g/mol) | 222.51 |
| MDL Number | MFCD00012860 |
| SMILES | [H+].[Cl-].NCC1=CC=C(Br)C=C1 |
| Synonym | 4-bromobenzylamine hydrochloride,4-bromophenyl methanamine hydrochloride,4-bromobenzylamine hcl,4-bba x hcl,4-bromo-benzylamine hydrochloride,p-bromobenzylamine hydrochloride,benzenemethanamine, 4-bromo-, hydrochloride,pubchem3751,acmc-1cfrz,4-bromobenzylamine, hcl |
| IUPAC Name | hydrogen 1-(4-bromophenyl)methanamine chloride |
| InChI Key | BVYUYDBWQMSOKM-UHFFFAOYSA-N |
| Molecular Formula | C7H9BrClN |
2-Bromostyrene (stabilized with TBC) 95.0+%, TCI America™
CAS: 2039-88-5 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000076 InChI Key: SSZOCHFYWWVSAI-UHFFFAOYSA-N Synonym: 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene PubChem CID: 16264 IUPAC Name: 1-bromo-2-ethenylbenzene SMILES: C=CC1=CC=CC=C1Br
| PubChem CID | 16264 |
|---|---|
| CAS | 2039-88-5 |
| Molecular Weight (g/mol) | 183.048 |
| MDL Number | MFCD00000076 |
| SMILES | C=CC1=CC=CC=C1Br |
| Synonym | 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene |
| IUPAC Name | 1-bromo-2-ethenylbenzene |
| InChI Key | SSZOCHFYWWVSAI-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
4-(Diphenylphosphino)benzoic Acid 97.0+%, TCI America™
CAS: 2129-31-9 Molecular Formula: C19H15O2P Molecular Weight (g/mol): 306.30 MDL Number: MFCD00407264 InChI Key: GXMHDTPYKRTARV-UHFFFAOYSA-N Synonym: 4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine PubChem CID: 627824 IUPAC Name: 4-(diphenylphosphanyl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 627824 |
|---|---|
| CAS | 2129-31-9 |
| Molecular Weight (g/mol) | 306.30 |
| MDL Number | MFCD00407264 |
| SMILES | OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine |
| IUPAC Name | 4-(diphenylphosphanyl)benzoic acid |
| InChI Key | GXMHDTPYKRTARV-UHFFFAOYSA-N |
| Molecular Formula | C19H15O2P |
3,5-Diiodosalicylic Acid 98.0+%, TCI America™
CAS: 133-91-5 Molecular Formula: C7H4I2O3 Molecular Weight (g/mol): 389.915 MDL Number: MFCD00002444 InChI Key: DHZVWQPHNWDCFS-UHFFFAOYSA-N Synonym: 3,5-diiodosalicylic acid,3,5-diiodo-2-hydroxybenzoic acid,benzoic acid, 2-hydroxy-3,5-diiodo,2-hydroxy-3,5-diiodobenzoate,3,5-diiodosalicylate,2-hydroxy-3,5-diiodobenzenecarboxylic acid,salicylic acid, 3,5-diiodo,2-hydroxy-3,5-diiodo-benzoic acid,benzoic acid, 3,5-diiodo-2-hydroxy,3,5-diiodosalicylicacid PubChem CID: 8631 IUPAC Name: 2-hydroxy-3,5-diiodobenzoic acid SMILES: C1=C(C=C(C(=C1I)O)C(=O)O)I
| PubChem CID | 8631 |
|---|---|
| CAS | 133-91-5 |
| Molecular Weight (g/mol) | 389.915 |
| MDL Number | MFCD00002444 |
| SMILES | C1=C(C=C(C(=C1I)O)C(=O)O)I |
| Synonym | 3,5-diiodosalicylic acid,3,5-diiodo-2-hydroxybenzoic acid,benzoic acid, 2-hydroxy-3,5-diiodo,2-hydroxy-3,5-diiodobenzoate,3,5-diiodosalicylate,2-hydroxy-3,5-diiodobenzenecarboxylic acid,salicylic acid, 3,5-diiodo,2-hydroxy-3,5-diiodo-benzoic acid,benzoic acid, 3,5-diiodo-2-hydroxy,3,5-diiodosalicylicacid |
| IUPAC Name | 2-hydroxy-3,5-diiodobenzoic acid |
| InChI Key | DHZVWQPHNWDCFS-UHFFFAOYSA-N |
| Molecular Formula | C7H4I2O3 |