Benzene and substituted derivatives
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2,4-Dichlorobenzotrifluoride 98.0+%, TCI America™
CAS: 320-60-5 Molecular Formula: C7H3Cl2F3 Molecular Weight (g/mol): 214.996 MDL Number: MFCD00000582 InChI Key: KALSHRGEFLVFHE-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzotrifluoride,2,4-dichloro-1-trifluoromethyl benzene,benzene, 2,4-dichloro-1-trifluoromethyl,unii-18v6zm0fjt,1,3-dichloro-4-trifluoromethyl benzene,2,4-dichloro-alpha,alpha,alpha-trifluorotoluene,18v6zm0fjt,2,4-dichloro-a,a,a-trifluorotoluene,pubchem5438,2,4-dichloro trifluoromethyl benzene PubChem CID: 9443 IUPAC Name: 2,4-dichloro-1-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1Cl)Cl)C(F)(F)F
| PubChem CID | 9443 |
|---|---|
| CAS | 320-60-5 |
| Molecular Weight (g/mol) | 214.996 |
| MDL Number | MFCD00000582 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(F)(F)F |
| Synonym | 2,4-dichlorobenzotrifluoride,2,4-dichloro-1-trifluoromethyl benzene,benzene, 2,4-dichloro-1-trifluoromethyl,unii-18v6zm0fjt,1,3-dichloro-4-trifluoromethyl benzene,2,4-dichloro-alpha,alpha,alpha-trifluorotoluene,18v6zm0fjt,2,4-dichloro-a,a,a-trifluorotoluene,pubchem5438,2,4-dichloro trifluoromethyl benzene |
| IUPAC Name | 2,4-dichloro-1-(trifluoromethyl)benzene |
| InChI Key | KALSHRGEFLVFHE-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2F3 |
1,1-Diphenyl-2-thiourea 98.0+%, TCI America™
CAS: 3898-08-6 Molecular Formula: C13H12N2S Molecular Weight (g/mol): 228.31 MDL Number: MFCD00059151 InChI Key: FPZXQVCYHDMIIA-UHFFFAOYSA-N Synonym: N,N-Diphenylthiourea PubChem CID: 3034143 IUPAC Name: 1,1-diphenylthiourea SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N
| PubChem CID | 3034143 |
|---|---|
| CAS | 3898-08-6 |
| Molecular Weight (g/mol) | 228.31 |
| MDL Number | MFCD00059151 |
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)N |
| Synonym | N,N-Diphenylthiourea |
| IUPAC Name | 1,1-diphenylthiourea |
| InChI Key | FPZXQVCYHDMIIA-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2S |
2,4-Dibromoaniline 98.0+%, TCI America™
CAS: 615-57-6 Molecular Formula: C6H5Br2N Molecular Weight (g/mol): 250.921 MDL Number: MFCD00007633 InChI Key: DYSRXWYRUJCNFI-UHFFFAOYSA-N Synonym: benzenamine, 2,4-dibromo,2,4-dibromobenzenamine,2,4-dibromo-phenylamine,dibromobenzenamine,2,4-dibromanilin,pubchem3447,2,4-dibromophenylamine,benzenamine,4-dibromo,2,4-bis bromanyl aniline,acmc-209mu0 PubChem CID: 12004 IUPAC Name: 2,4-dibromoaniline SMILES: C1=CC(=C(C=C1Br)Br)N
| PubChem CID | 12004 |
|---|---|
| CAS | 615-57-6 |
| Molecular Weight (g/mol) | 250.921 |
| MDL Number | MFCD00007633 |
| SMILES | C1=CC(=C(C=C1Br)Br)N |
| Synonym | benzenamine, 2,4-dibromo,2,4-dibromobenzenamine,2,4-dibromo-phenylamine,dibromobenzenamine,2,4-dibromanilin,pubchem3447,2,4-dibromophenylamine,benzenamine,4-dibromo,2,4-bis bromanyl aniline,acmc-209mu0 |
| IUPAC Name | 2,4-dibromoaniline |
| InChI Key | DYSRXWYRUJCNFI-UHFFFAOYSA-N |
| Molecular Formula | C6H5Br2N |
N,N-Dimethyl-m-anisidine 97.0+%, TCI America™
CAS: 15799-79-8 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00051779 InChI Key: MOYHVSKDHLMMPS-UHFFFAOYSA-N Synonym: 3-dimethylaminoanisole,n,n-dimethyl-m-anisidine,3-methoxy-n,n-dimethylbenzenamine,3-methoxyphenyl dimethylamine,3-dimethylamino-anisole,acmc-1c3gj,m-methoxy-n,n-dimethylanilin,n,n-dimethyl-3-methoxyaniline,n1,n1-dimethyl-3-methoxyaniline,3-methoxy-n,n-dimethylbenzeneamine PubChem CID: 139977 IUPAC Name: 3-methoxy-N,N-dimethylaniline SMILES: CN(C)C1=CC(=CC=C1)OC
| PubChem CID | 139977 |
|---|---|
| CAS | 15799-79-8 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00051779 |
| SMILES | CN(C)C1=CC(=CC=C1)OC |
| Synonym | 3-dimethylaminoanisole,n,n-dimethyl-m-anisidine,3-methoxy-n,n-dimethylbenzenamine,3-methoxyphenyl dimethylamine,3-dimethylamino-anisole,acmc-1c3gj,m-methoxy-n,n-dimethylanilin,n,n-dimethyl-3-methoxyaniline,n1,n1-dimethyl-3-methoxyaniline,3-methoxy-n,n-dimethylbenzeneamine |
| IUPAC Name | 3-methoxy-N,N-dimethylaniline |
| InChI Key | MOYHVSKDHLMMPS-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
2,4-Dinitrodiphenylamine 98.0+%, TCI America™
CAS: 961-68-2 Molecular Formula: C12H9N3O4 Molecular Weight (g/mol): 259.221 MDL Number: MFCD00007223 InChI Key: RHTVQEPJVKUMPI-UHFFFAOYSA-N Synonym: 2,4-dinitrodiphenylamine,serisol yellow 2g,supracet yellow 3g,c.i. disperse yellow 14,o,p-dinitrodiphenylamine,acetoquinone yellow 5jz,benzenamine, 2,4-dinitro-n-phenyl,n-phenyl-2,4-dinitroaniline,diphenylamine, 2,4-dinitro,n-2,4-dinitrophenyl aniline PubChem CID: 13748 IUPAC Name: 2,4-dinitro-N-phenylaniline SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
| PubChem CID | 13748 |
|---|---|
| CAS | 961-68-2 |
| Molecular Weight (g/mol) | 259.221 |
| MDL Number | MFCD00007223 |
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| Synonym | 2,4-dinitrodiphenylamine,serisol yellow 2g,supracet yellow 3g,c.i. disperse yellow 14,o,p-dinitrodiphenylamine,acetoquinone yellow 5jz,benzenamine, 2,4-dinitro-n-phenyl,n-phenyl-2,4-dinitroaniline,diphenylamine, 2,4-dinitro,n-2,4-dinitrophenyl aniline |
| IUPAC Name | 2,4-dinitro-N-phenylaniline |
| InChI Key | RHTVQEPJVKUMPI-UHFFFAOYSA-N |
| Molecular Formula | C12H9N3O4 |
3-Sulfobenzoic Acid Monosodium Salt 95.0+%, TCI America™
CAS: 17625-03-5 Molecular Formula: C7H5NaO5S Molecular Weight (g/mol): 224.162 MDL Number: MFCD00066378 InChI Key: KQHKITXZJDOIOD-UHFFFAOYSA-M PubChem CID: 23668512 IUPAC Name: sodium;3-sulfobenzoate SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+]
| PubChem CID | 23668512 |
|---|---|
| CAS | 17625-03-5 |
| Molecular Weight (g/mol) | 224.162 |
| MDL Number | MFCD00066378 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+] |
| IUPAC Name | sodium;3-sulfobenzoate |
| InChI Key | KQHKITXZJDOIOD-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO5S |
Di-p-tolylmethane 99.0+%, TCI America™
CAS: 4957-14-6 Molecular Formula: C15H16 Molecular Weight (g/mol): 196.293 MDL Number: MFCD00026018 InChI Key: HZAWPPRBCALFRN-UHFFFAOYSA-N Synonym: 4,4′C-Dimethyldiphenylmethane PubChem CID: 21071 IUPAC Name: 1-methyl-4-[(4-methylphenyl)methyl]benzene SMILES: CC1=CC=C(C=C1)CC2=CC=C(C=C2)C
| PubChem CID | 21071 |
|---|---|
| CAS | 4957-14-6 |
| Molecular Weight (g/mol) | 196.293 |
| MDL Number | MFCD00026018 |
| SMILES | CC1=CC=C(C=C1)CC2=CC=C(C=C2)C |
| Synonym | 4,4′C-Dimethyldiphenylmethane |
| IUPAC Name | 1-methyl-4-[(4-methylphenyl)methyl]benzene |
| InChI Key | HZAWPPRBCALFRN-UHFFFAOYSA-N |
| Molecular Formula | C15H16 |
1,3-Dipropoxybenzene 98.0+%, TCI America™
CAS: 56106-37-7 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD00059402 InChI Key: UTFRNSPYRPYKDV-UHFFFAOYSA-N Synonym: Resorcinol Dipropyl Ether PubChem CID: 573684 IUPAC Name: 1,3-dipropoxybenzene SMILES: CCCOC1=CC(OCCC)=CC=C1
| PubChem CID | 573684 |
|---|---|
| CAS | 56106-37-7 |
| Molecular Weight (g/mol) | 194.27 |
| MDL Number | MFCD00059402 |
| SMILES | CCCOC1=CC(OCCC)=CC=C1 |
| Synonym | Resorcinol Dipropyl Ether |
| IUPAC Name | 1,3-dipropoxybenzene |
| InChI Key | UTFRNSPYRPYKDV-UHFFFAOYSA-N |
| Molecular Formula | C12H18O2 |
1,1-Diphenylacetone 99.0+%, TCI America™
CAS: 781-35-1 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00008759 InChI Key: DBNWBEGCONIRGQ-UHFFFAOYSA-N Synonym: 1,1-diphenylacetone,1,1-diphenyl-2-propanone,2-propanone, 1,1-diphenyl,1,1-diphenyl acetone,methyl diphenylmethyl ketone,ketone, diphenylmethyl methyl,benzhydryl methyl ketone,diphenylacetone,3,3-diphenyl acetone,2-propanone, diphenyl PubChem CID: 69907 IUPAC Name: 1,1-diphenylpropan-2-one SMILES: CC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 69907 |
|---|---|
| CAS | 781-35-1 |
| Molecular Weight (g/mol) | 210.276 |
| MDL Number | MFCD00008759 |
| SMILES | CC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | 1,1-diphenylacetone,1,1-diphenyl-2-propanone,2-propanone, 1,1-diphenyl,1,1-diphenyl acetone,methyl diphenylmethyl ketone,ketone, diphenylmethyl methyl,benzhydryl methyl ketone,diphenylacetone,3,3-diphenyl acetone,2-propanone, diphenyl |
| IUPAC Name | 1,1-diphenylpropan-2-one |
| InChI Key | DBNWBEGCONIRGQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
(-)-Dibenzoyl-L-tartaric Acid Monohydrate 98.0+%, TCI America™
CAS: 62708-56-9 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.30 MDL Number: MFCD00149119 InChI Key: YONLFQNRGZXBBF-OKILXGFUSA-N Synonym: 2r,3r-2,3-bis benzoyloxy succinic acid hydrate,--dibenzoyl-l-tartaric acid monohydrate,--dibenzoyl-l-tartaric acidmonohydrate,dibenzoyl-l---tartaric acid monohydrate,l--dibenzoyl-l-tartatic acid monohydrate,2r,3r---dibenzoyl-l-tartaric acid monohydrate,2r,3r-2,3-bis benzoyloxy butanedioic acid hydrate,dibenzoyl-l-tartaric acid monohydrate,l-dbta,pubchem7152 PubChem CID: 44119738 IUPAC Name: (2R,3S)-2,3-bis(benzoyloxy)butanedioic acid SMILES: OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@@H](OC(=O)C1=CC=CC=C1)C(O)=O
| PubChem CID | 44119738 |
|---|---|
| CAS | 62708-56-9 |
| Molecular Weight (g/mol) | 358.30 |
| MDL Number | MFCD00149119 |
| SMILES | OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@@H](OC(=O)C1=CC=CC=C1)C(O)=O |
| Synonym | 2r,3r-2,3-bis benzoyloxy succinic acid hydrate,--dibenzoyl-l-tartaric acid monohydrate,--dibenzoyl-l-tartaric acidmonohydrate,dibenzoyl-l---tartaric acid monohydrate,l--dibenzoyl-l-tartatic acid monohydrate,2r,3r---dibenzoyl-l-tartaric acid monohydrate,2r,3r-2,3-bis benzoyloxy butanedioic acid hydrate,dibenzoyl-l-tartaric acid monohydrate,l-dbta,pubchem7152 |
| IUPAC Name | (2R,3S)-2,3-bis(benzoyloxy)butanedioic acid |
| InChI Key | YONLFQNRGZXBBF-OKILXGFUSA-N |
| Molecular Formula | C18H14O8 |
2-Chloro-4-nitroanisole 98.0+%, TCI America™
CAS: 4920-79-0 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.579 MDL Number: MFCD00060681 InChI Key: DLJPNXLHWMRQIQ-UHFFFAOYSA-N Synonym: 3-Chloro-4-methoxynitrobenzene PubChem CID: 21027 IUPAC Name: 2-chloro-1-methoxy-4-nitrobenzene SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])Cl
| PubChem CID | 21027 |
|---|---|
| CAS | 4920-79-0 |
| Molecular Weight (g/mol) | 187.579 |
| MDL Number | MFCD00060681 |
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| Synonym | 3-Chloro-4-methoxynitrobenzene |
| IUPAC Name | 2-chloro-1-methoxy-4-nitrobenzene |
| InChI Key | DLJPNXLHWMRQIQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO3 |
Methyl 3-Amino-4-methylbenzoate 98.0+%, TCI America™
CAS: 18595-18-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00025206 InChI Key: YEPWCJHMSVABPQ-UHFFFAOYSA-N Synonym: 3-amino-4-methylbenzoic acid methyl ester,methyl 3-amino-4-methyl-benzoate,benzoic acid, 3-amino-4-methyl-, methyl ester,methyl 3-amino-p-toluate,methyl 4-methyl-3-aminobenzoate,3-amino-p-toluic acid methyl ester,3-amino-4-methyl-benzoic acid methyl ester,3-amino-4-methyl benzoic acid methyl ester,pubchem2351,pubchem10930 PubChem CID: 337778 IUPAC Name: methyl 3-amino-4-methylbenzoate SMILES: COC(=O)C1=CC=C(C)C(N)=C1
| PubChem CID | 337778 |
|---|---|
| CAS | 18595-18-1 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00025206 |
| SMILES | COC(=O)C1=CC=C(C)C(N)=C1 |
| Synonym | 3-amino-4-methylbenzoic acid methyl ester,methyl 3-amino-4-methyl-benzoate,benzoic acid, 3-amino-4-methyl-, methyl ester,methyl 3-amino-p-toluate,methyl 4-methyl-3-aminobenzoate,3-amino-p-toluic acid methyl ester,3-amino-4-methyl-benzoic acid methyl ester,3-amino-4-methyl benzoic acid methyl ester,pubchem2351,pubchem10930 |
| IUPAC Name | methyl 3-amino-4-methylbenzoate |
| InChI Key | YEPWCJHMSVABPQ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2-Amino-2'-methyldiphenyl Ether 97.0+%, TCI America™
CAS: 3840-18-4 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.253 MDL Number: MFCD00025167 InChI Key: JYJPXACGURQSCB-UHFFFAOYSA-N Synonym: 2-Aminophenyl o-Tolyl Ether, 2-(o-Tolyloxy)aniline PubChem CID: 19692 IUPAC Name: 2-(2-methylphenoxy)aniline SMILES: CC1=CC=CC=C1OC2=CC=CC=C2N
| PubChem CID | 19692 |
|---|---|
| CAS | 3840-18-4 |
| Molecular Weight (g/mol) | 199.253 |
| MDL Number | MFCD00025167 |
| SMILES | CC1=CC=CC=C1OC2=CC=CC=C2N |
| Synonym | 2-Aminophenyl o-Tolyl Ether, 2-(o-Tolyloxy)aniline |
| IUPAC Name | 2-(2-methylphenoxy)aniline |
| InChI Key | JYJPXACGURQSCB-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO |
Atenolol 98.0+%, TCI America™
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.341 MDL Number: MFCD00057645 InChI Key: METKIMKYRPQLGS-UHFFFAOYSA-N Synonym: atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm PubChem CID: 2249 ChEBI: CHEBI:2904 IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide SMILES: CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
| PubChem CID | 2249 |
|---|---|
| CAS | 29122-68-7 |
| Molecular Weight (g/mol) | 266.341 |
| ChEBI | CHEBI:2904 |
| MDL Number | MFCD00057645 |
| SMILES | CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O |
| Synonym | atenolol,tenormin,tenormine,normiten,blokium,prenormine,tenoblock,atehexal,betablok,cuxanorm |
| IUPAC Name | 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| InChI Key | METKIMKYRPQLGS-UHFFFAOYSA-N |
| Molecular Formula | C14H22N2O3 |
4-Acetamidobenzenesulfonyl Azide 98.0+%, TCI America™
CAS: 2158-14-7 Molecular Formula: C8H8N4O3S Molecular Weight (g/mol): 240.24 MDL Number: MFCD00029626 InChI Key: NTMHWRHEGDRTPD-UHFFFAOYSA-N Synonym: 4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide PubChem CID: 5129185 IUPAC Name: 4-acetamidobenzene-1-sulfonyl azide SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
| PubChem CID | 5129185 |
|---|---|
| CAS | 2158-14-7 |
| Molecular Weight (g/mol) | 240.24 |
| MDL Number | MFCD00029626 |
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-] |
| Synonym | 4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide |
| IUPAC Name | 4-acetamidobenzene-1-sulfonyl azide |
| InChI Key | NTMHWRHEGDRTPD-UHFFFAOYSA-N |
| Molecular Formula | C8H8N4O3S |