Benzene and substituted derivatives
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2,4,6-Trichlorobenzoic acid, 94%
CAS: 50-43-1 Molecular Formula: C7H3Cl3O2 Molecular Weight (g/mol): 225.449 MDL Number: MFCD00060699 InChI Key: RAFFVQBMVYYTQS-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f PubChem CID: 5764 IUPAC Name: 2,4,6-trichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl
| PubChem CID | 5764 |
|---|---|
| CAS | 50-43-1 |
| Molecular Weight (g/mol) | 225.449 |
| MDL Number | MFCD00060699 |
| SMILES | C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl |
| Synonym | benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f |
| IUPAC Name | 2,4,6-trichlorobenzoic acid |
| InChI Key | RAFFVQBMVYYTQS-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O2 |
2-Chloro-4-(trifluoromethyl)aniline, 98%
CAS: 39885-50-2 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00042563 InChI Key: MBBUTABXEITVNY-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474 PubChem CID: 162001 IUPAC Name: 2-chloro-4-(trifluoromethyl)aniline SMILES: NC1=CC=C(C=C1Cl)C(F)(F)F
| PubChem CID | 162001 |
|---|---|
| CAS | 39885-50-2 |
| Molecular Weight (g/mol) | 195.57 |
| MDL Number | MFCD00042563 |
| SMILES | NC1=CC=C(C=C1Cl)C(F)(F)F |
| Synonym | 2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474 |
| IUPAC Name | 2-chloro-4-(trifluoromethyl)aniline |
| InChI Key | MBBUTABXEITVNY-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClF3N |
Benzophenone-4, Spectrum™ Chemical
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CAS: 4065-45-6
| CAS | 4065-45-6 |
|---|
4-Fluoro-2-(trifluoromethyl)benzyl bromide, 98%, Thermo Scientific™
CAS: 206860-48-2 Molecular Formula: C8H5BrF4 Molecular Weight (g/mol): 257.03 InChI Key: JMNOONULDANZRZ-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzyl bromide,1-bromomethyl-4-fluoro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-fluoro-2-trifluoromethyl,alpha-bromo-4-fluoro-2-trifluoromethyl toluene,1-bromomethyl-4-fluoro-2-trifluoromethyl-benzene,pubchem4642,acmc-20ai28,4-fluoro-2-trifluoromethylbenzyl bromide,4-fluoro-2-trifluoromethyl-benzyl bromide PubChem CID: 2737576 IUPAC Name: 1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1F)C(F)(F)F)CBr
| PubChem CID | 2737576 |
|---|---|
| CAS | 206860-48-2 |
| Molecular Weight (g/mol) | 257.03 |
| SMILES | C1=CC(=C(C=C1F)C(F)(F)F)CBr |
| Synonym | 4-fluoro-2-trifluoromethyl benzyl bromide,1-bromomethyl-4-fluoro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl benzylbromide,benzene, 1-bromomethyl-4-fluoro-2-trifluoromethyl,alpha-bromo-4-fluoro-2-trifluoromethyl toluene,1-bromomethyl-4-fluoro-2-trifluoromethyl-benzene,pubchem4642,acmc-20ai28,4-fluoro-2-trifluoromethylbenzyl bromide,4-fluoro-2-trifluoromethyl-benzyl bromide |
| IUPAC Name | 1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene |
| InChI Key | JMNOONULDANZRZ-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrF4 |
5-(2-Bromophenyl)-3-methyl-1,2,4-oxadiazole 97+%, Thermo Scientific™
CAS: 375857-64-0 Molecular Formula: C9H7BrN2O Molecular Weight (g/mol): 239.072 InChI Key: NYAFKUCVAVUCHW-UHFFFAOYSA-N PubChem CID: 18001310 IUPAC Name: 5-(2-bromophenyl)-3-methyl-1,2,4-oxadiazole SMILES: CC1=NOC(=N1)C2=CC=CC=C2Br
| PubChem CID | 18001310 |
|---|---|
| CAS | 375857-64-0 |
| Molecular Weight (g/mol) | 239.072 |
| SMILES | CC1=NOC(=N1)C2=CC=CC=C2Br |
| IUPAC Name | 5-(2-bromophenyl)-3-methyl-1,2,4-oxadiazole |
| InChI Key | NYAFKUCVAVUCHW-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrN2O |
4-Amino-3-(trifluoromethoxy)benzoic acid, 95%, Thermo Scientific™
CAS: 175278-22-5 Molecular Formula: C8H6F3NO3 Molecular Weight (g/mol): 221.135 InChI Key: IXJFWBNYFTWBOR-UHFFFAOYSA-N Synonym: 4-amino-3-trifluoromethoxy benzoic acid,rarechem al bo 0798,buttpark 83\07-32,4-amino-3-trifluoromethoxy-benzoic acid,4-amine-3-trifluoromethoxy benzoic acid,benzoic acid, 4-amino-3-trifluoromethoxy,4-amino-3-trifluoromethoxybenzoicacid,pubchem14042,acmc-209e9s PubChem CID: 2735951 IUPAC Name: 4-amino-3-(trifluoromethoxy)benzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)N
| PubChem CID | 2735951 |
|---|---|
| CAS | 175278-22-5 |
| Molecular Weight (g/mol) | 221.135 |
| SMILES | C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)N |
| Synonym | 4-amino-3-trifluoromethoxy benzoic acid,rarechem al bo 0798,buttpark 83\07-32,4-amino-3-trifluoromethoxy-benzoic acid,4-amine-3-trifluoromethoxy benzoic acid,benzoic acid, 4-amino-3-trifluoromethoxy,4-amino-3-trifluoromethoxybenzoicacid,pubchem14042,acmc-209e9s |
| IUPAC Name | 4-amino-3-(trifluoromethoxy)benzoic acid |
| InChI Key | IXJFWBNYFTWBOR-UHFFFAOYSA-N |
| Molecular Formula | C8H6F3NO3 |
Tris(pentafluorophenyl)phosphine, 95%
CAS: 1259-35-4 Molecular Formula: C18F15P Molecular Weight (g/mol): 532.15 MDL Number: MFCD00079654 InChI Key: FQLSDFNKTNBQLC-UHFFFAOYSA-N Synonym: tris pentafluorophenyl phosphine,phosphine, tris pentafluorophenyl,tris perfluorophenyl phosphine,tris pentafluorophenyl phosphane,tris 2,3,4,5,6-pentafluorophenyl phosphane,pubchem6422,acmc-1bogg,ksc491k1f,tris-pentafluorophenyl-phosphane PubChem CID: 102076 IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)phosphane SMILES: FC1=C(F)C(F)=C(P(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
| PubChem CID | 102076 |
|---|---|
| CAS | 1259-35-4 |
| Molecular Weight (g/mol) | 532.15 |
| MDL Number | MFCD00079654 |
| SMILES | FC1=C(F)C(F)=C(P(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F |
| Synonym | tris pentafluorophenyl phosphine,phosphine, tris pentafluorophenyl,tris perfluorophenyl phosphine,tris pentafluorophenyl phosphane,tris 2,3,4,5,6-pentafluorophenyl phosphane,pubchem6422,acmc-1bogg,ksc491k1f,tris-pentafluorophenyl-phosphane |
| IUPAC Name | tris(2,3,4,5,6-pentafluorophenyl)phosphane |
| InChI Key | FQLSDFNKTNBQLC-UHFFFAOYSA-N |
| Molecular Formula | C18F15P |
N-Methyl-N-[4-(pyridin-2-yloxy)benzyl]amine, 97%, Thermo Scientific™
CAS: 892501-90-5 Molecular Formula: C13H14N2O Molecular Weight (g/mol): 214.27 MDL Number: MFCD08690279 InChI Key: AFHNQZMRTDPSDR-UHFFFAOYSA-N Synonym: n-methyl-n-4-pyridin-2-yloxy benzyl amine,methyl 4-pyridin-2-yloxy phenyl methyl amine,methyl 4-2-pyridyloxy phenyl methyl amine,benzenemethanamine,n-methyl-4-2-pyridinyloxy,n-methyl-1-4-pyridin-2-yloxyphenyl methanamine,n-methyl-1-4-2-pyridinyloxy phenyl methanamine,n-methyl-1-4-pyridin-2-yloxy phenyl methanamine,n-methyl-1-4-pyridin-2-yl oxy phenyl methanamine PubChem CID: 18525833 IUPAC Name: N-methyl-1-(4-pyridin-2-yloxyphenyl)methanamine SMILES: CNCC1=CC=C(OC2=CC=CC=N2)C=C1
| PubChem CID | 18525833 |
|---|---|
| CAS | 892501-90-5 |
| Molecular Weight (g/mol) | 214.27 |
| MDL Number | MFCD08690279 |
| SMILES | CNCC1=CC=C(OC2=CC=CC=N2)C=C1 |
| Synonym | n-methyl-n-4-pyridin-2-yloxy benzyl amine,methyl 4-pyridin-2-yloxy phenyl methyl amine,methyl 4-2-pyridyloxy phenyl methyl amine,benzenemethanamine,n-methyl-4-2-pyridinyloxy,n-methyl-1-4-pyridin-2-yloxyphenyl methanamine,n-methyl-1-4-2-pyridinyloxy phenyl methanamine,n-methyl-1-4-pyridin-2-yloxy phenyl methanamine,n-methyl-1-4-pyridin-2-yl oxy phenyl methanamine |
| IUPAC Name | N-methyl-1-(4-pyridin-2-yloxyphenyl)methanamine |
| InChI Key | AFHNQZMRTDPSDR-UHFFFAOYSA-N |
| Molecular Formula | C13H14N2O |
Diethyl Terephthalate, Spectrum™ Chemical
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CAS: 636-09-9 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 InChI Key: ONIHPYYWNBVMID-UHFFFAOYSA-N IUPAC Name: 1,4-diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
| CAS | 636-09-9 |
|---|---|
| Molecular Weight (g/mol) | 222.24 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=O)OCC |
| IUPAC Name | 1,4-diethyl benzene-1,4-dicarboxylate |
| InChI Key | ONIHPYYWNBVMID-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
3,5-Dichlorobenzoyl chloride, 96%
CAS: 2905-62-6 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00009817 InChI Key: GGHLXLVPNZMBQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 3,5-dichloro,3,5-dichlorobenzoylchloride,dichlorobenzoylchloride 3,5-,pubchem10805,dsstox_cid_7506,acmc-209h6l,dsstox_rid_78478,dsstox_gsid_27506,ksc204k6p,3,5-dichloro benzoyl chloride PubChem CID: 76191 IUPAC Name: 3,5-dichlorobenzoyl chloride SMILES: ClC(=O)C1=CC(Cl)=CC(Cl)=C1
| PubChem CID | 76191 |
|---|---|
| CAS | 2905-62-6 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00009817 |
| SMILES | ClC(=O)C1=CC(Cl)=CC(Cl)=C1 |
| Synonym | benzoyl chloride, 3,5-dichloro,3,5-dichlorobenzoylchloride,dichlorobenzoylchloride 3,5-,pubchem10805,dsstox_cid_7506,acmc-209h6l,dsstox_rid_78478,dsstox_gsid_27506,ksc204k6p,3,5-dichloro benzoyl chloride |
| IUPAC Name | 3,5-dichlorobenzoyl chloride |
| InChI Key | GGHLXLVPNZMBQR-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
5-(4-Bromophenyl)isoxazole, 97%, Thermo Scientific™
CAS: 7064-31-5 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD02183532 InChI Key: AVMMSHZGFRWLRI-UHFFFAOYSA-N Synonym: 5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh PubChem CID: 2735608 IUPAC Name: 5-(4-bromophenyl)-1,2-oxazole SMILES: C1=CC(=CC=C1C2=CC=NO2)Br
| PubChem CID | 2735608 |
|---|---|
| CAS | 7064-31-5 |
| Molecular Weight (g/mol) | 224.057 |
| MDL Number | MFCD02183532 |
| SMILES | C1=CC(=CC=C1C2=CC=NO2)Br |
| Synonym | 5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh |
| IUPAC Name | 5-(4-bromophenyl)-1,2-oxazole |
| InChI Key | AVMMSHZGFRWLRI-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
Benzocaine, USP, 98-102%, Spectrum™ Chemical
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CAS: 94-09-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007892 InChI Key: BLFLLBZGZJTVJG-UHFFFAOYSA-N IUPAC Name: ethyl 4-aminobenzoate SMILES: CCOC(=O)C1=CC=C(N)C=C1
| CAS | 94-09-7 |
|---|---|
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00007892 |
| SMILES | CCOC(=O)C1=CC=C(N)C=C1 |
| IUPAC Name | ethyl 4-aminobenzoate |
| InChI Key | BLFLLBZGZJTVJG-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2-Chloro-5-(trifluoromethyl)phenyl isocyanate, 97%
CAS: 50528-86-4 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.563 MDL Number: MFCD00037029 InChI Key: WEPYOPYMWSHRIW-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol PubChem CID: 2733263 IUPAC Name: 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl
| PubChem CID | 2733263 |
|---|---|
| CAS | 50528-86-4 |
| Molecular Weight (g/mol) | 221.563 |
| MDL Number | MFCD00037029 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N=C=O)Cl |
| Synonym | 2-chloro-5-trifluoromethyl phenyl isocyanate,1-chloro-2-isocyanato-4-trifluoromethyl benzene,isocyanic acid 2-chloro-5-trifluoromethyl phenyl ester,2-chloro-5-trifluoromethylphenyl isocyanate,2-chloro-5-trifluoromethyl phenylisocyanate,2-chloro-5-trifluoromethyl benzenisocyanate,pubchem5026,acmc-1aq1j,timtec-bb sbb006656,1-mercapto-2-methyl-propan-2-ol |
| IUPAC Name | 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene |
| InChI Key | WEPYOPYMWSHRIW-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF3NO |
Dapsone, USP, 98-102%, Spectrum™ Chemical
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CAS: 80-08-0 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.30 InChI Key: MQJKPEGWNLWLTK-UHFFFAOYSA-N IUPAC Name: 4-(4-aminobenzenesulfonyl)aniline SMILES: NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1
| CAS | 80-08-0 |
|---|---|
| Molecular Weight (g/mol) | 248.30 |
| SMILES | NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1 |
| IUPAC Name | 4-(4-aminobenzenesulfonyl)aniline |
| InChI Key | MQJKPEGWNLWLTK-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O2S |