Benzene and substituted derivatives
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Chrome Pure Blue BX, TCI America™
CAS: 1796-92-5 Molecular Formula: C23H14Cl2Na2O6 Molecular Weight (g/mol): 503.239 MDL Number: MFCD00036446 InChI Key: JROAZQFKSSYEBL-UHFFFAOYSA-L Synonym: Eriochrome Azurol B, Sunchromine Pure Blue BX, Mordant Blue 1 PubChem CID: 54726806 IUPAC Name: disodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-3-methyl-2-oxidobenzoate SMILES: CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC=C3Cl)Cl.[Na+].[Na+]
| PubChem CID | 54726806 |
|---|---|
| CAS | 1796-92-5 |
| Molecular Weight (g/mol) | 503.239 |
| MDL Number | MFCD00036446 |
| SMILES | CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC=C3Cl)Cl.[Na+].[Na+] |
| Synonym | Eriochrome Azurol B, Sunchromine Pure Blue BX, Mordant Blue 1 |
| IUPAC Name | disodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-3-methyl-2-oxidobenzoate |
| InChI Key | JROAZQFKSSYEBL-UHFFFAOYSA-L |
| Molecular Formula | C23H14Cl2Na2O6 |
2,4,6-Trichlorobenzoic Acid 98.0+%, TCI America™
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 |
2,3,4,5-Tetrachlorobenzoyl Chloride 98.0+%, TCI America™
CAS: 42221-52-3 Molecular Formula: C7HCl5O Molecular Weight (g/mol): 278.33 MDL Number: MFCD08460213 InChI Key: IROWIXYGGPOJFJ-UHFFFAOYSA-N PubChem CID: 5463797 IUPAC Name: 2,3,4,5-tetrachlorobenzoyl chloride SMILES: ClC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl
| PubChem CID | 5463797 |
|---|---|
| CAS | 42221-52-3 |
| Molecular Weight (g/mol) | 278.33 |
| MDL Number | MFCD08460213 |
| SMILES | ClC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl |
| IUPAC Name | 2,3,4,5-tetrachlorobenzoyl chloride |
| InChI Key | IROWIXYGGPOJFJ-UHFFFAOYSA-N |
| Molecular Formula | C7HCl5O |
Tris(4-trifluoromethylphenyl)bismuth Dichloride 98.0+%, TCI America™
CAS: 121882-75-5 Molecular Formula: C21H12BiCl2F9 Molecular Weight (g/mol): 715.193 MDL Number: MFCD06797186 InChI Key: VOZWPVZQISDWJM-UHFFFAOYSA-L Synonym: Dichlorotris(4-trifluoromethylphenyl)bismuth PubChem CID: 44409351 IUPAC Name: dichloro-tris[4-(trifluoromethyl)phenyl]bismuth SMILES: C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl
| PubChem CID | 44409351 |
|---|---|
| CAS | 121882-75-5 |
| Molecular Weight (g/mol) | 715.193 |
| MDL Number | MFCD06797186 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl |
| Synonym | Dichlorotris(4-trifluoromethylphenyl)bismuth |
| IUPAC Name | dichloro-tris[4-(trifluoromethyl)phenyl]bismuth |
| InChI Key | VOZWPVZQISDWJM-UHFFFAOYSA-L |
| Molecular Formula | C21H12BiCl2F9 |
2,4,4'-Trihydroxybenzophenone 98.0+%, TCI America™
CAS: 1470-79-7 Molecular Formula: C13H10O4 Molecular Weight (g/mol): 230.22 MDL Number: MFCD00002356 InChI Key: OKJFKPFBSPZTAH-UHFFFAOYSA-N Synonym: 2,4,4'-trihydroxybenzophenone,2,4-dihydroxyphenyl 4-hydroxyphenyl methanone,benzophenone, 2,4,4'-trihydroxy,unii-qp9121ig2s,methanone, 2,4-dihydroxyphenyl 4-hydroxyphenyl,2,4-dihydroxyphenyl p-hydroxybenzyl ketone,2,4-dihydroxyphenyl-4-hydroxyphenyl methanone,2,4-dihydroxy-phenyl-4-hydroxy-phenyl-methanone,dsstox_cid_24836,dsstox_rid_80517 PubChem CID: 73852 IUPAC Name: 4-(4-hydroxybenzoyl)benzene-1,3-diol SMILES: OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1O
| PubChem CID | 73852 |
|---|---|
| CAS | 1470-79-7 |
| Molecular Weight (g/mol) | 230.22 |
| MDL Number | MFCD00002356 |
| SMILES | OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1O |
| Synonym | 2,4,4'-trihydroxybenzophenone,2,4-dihydroxyphenyl 4-hydroxyphenyl methanone,benzophenone, 2,4,4'-trihydroxy,unii-qp9121ig2s,methanone, 2,4-dihydroxyphenyl 4-hydroxyphenyl,2,4-dihydroxyphenyl p-hydroxybenzyl ketone,2,4-dihydroxyphenyl-4-hydroxyphenyl methanone,2,4-dihydroxy-phenyl-4-hydroxy-phenyl-methanone,dsstox_cid_24836,dsstox_rid_80517 |
| IUPAC Name | 4-(4-hydroxybenzoyl)benzene-1,3-diol |
| InChI Key | OKJFKPFBSPZTAH-UHFFFAOYSA-N |
| Molecular Formula | C13H10O4 |
Benzyltriethylammonium Borohydride 90.0+%, TCI America™
CAS: 85874-45-9 Molecular Formula: C13H22BN Molecular Weight (g/mol): 203.136 MDL Number: MFCD00191785 InChI Key: HQGWCEJYXHFBSA-UHFFFAOYSA-N Synonym: benzyltriethylammonium borohydride,benzyltriethylazanium ? 1-boranuidylidene,n,n,n-triethyl-benzenemethanaminium tetrahydroborate PubChem CID: 10899792 IUPAC Name: benzyl(triethyl)azanium;boron(1-) SMILES: [B-].CC[N+](CC)(CC)CC1=CC=CC=C1
| PubChem CID | 10899792 |
|---|---|
| CAS | 85874-45-9 |
| Molecular Weight (g/mol) | 203.136 |
| MDL Number | MFCD00191785 |
| SMILES | [B-].CC[N+](CC)(CC)CC1=CC=CC=C1 |
| Synonym | benzyltriethylammonium borohydride,benzyltriethylazanium ? 1-boranuidylidene,n,n,n-triethyl-benzenemethanaminium tetrahydroborate |
| IUPAC Name | benzyl(triethyl)azanium;boron(1-) |
| InChI Key | HQGWCEJYXHFBSA-UHFFFAOYSA-N |
| Molecular Formula | C13H22BN |
2-(Methylthio)benzoic Acid 98.0+%, TCI America™
CAS: 3724-10-5 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00029934 InChI Key: LWJQGKJCZOGGPJ-UHFFFAOYSA-N Synonym: 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french PubChem CID: 19498 IUPAC Name: 2-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC=C1C(=O)O
| PubChem CID | 19498 |
|---|---|
| CAS | 3724-10-5 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00029934 |
| SMILES | CSC1=CC=CC=C1C(=O)O |
| Synonym | 2-methylthio benzoic acid,benzoic acid, 2-methylthio,o-methylthio benzoic acid,benzoic acid, o-methylthio,2-methylsulfanyl benzoic acid,2-methylmercaptobenzoic acid,2-carboxyphenyl methyl sulfide,acide methyl-s-2-benzoique,2-methylmercapto benzoic acid,acide methyl-s-2-benzoique french |
| IUPAC Name | 2-methylsulfanylbenzoic acid |
| InChI Key | LWJQGKJCZOGGPJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
4'-Butyl-4-iodobiphenyl 98.0+%, TCI America™
CAS: 199982-02-0 Molecular Formula: C16H17I Molecular Weight (g/mol): 336.216 MDL Number: MFCD16619281 InChI Key: KTEKHPDWAMYUBP-UHFFFAOYSA-N PubChem CID: 53417225 IUPAC Name: 1-butyl-4-(4-iodophenyl)benzene SMILES: CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I
| PubChem CID | 53417225 |
|---|---|
| CAS | 199982-02-0 |
| Molecular Weight (g/mol) | 336.216 |
| MDL Number | MFCD16619281 |
| SMILES | CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I |
| IUPAC Name | 1-butyl-4-(4-iodophenyl)benzene |
| InChI Key | KTEKHPDWAMYUBP-UHFFFAOYSA-N |
| Molecular Formula | C16H17I |
1-Bromo-4-(4-bromophenyl)naphthalene 97.0+%, TCI America™
CAS: 952604-26-1 Molecular Formula: C16H10Br2 Molecular Weight (g/mol): 362.064 InChI Key: APZXILAQCHOANP-UHFFFAOYSA-N PubChem CID: 57816069 IUPAC Name: 1-bromo-4-(4-bromophenyl)naphthalene SMILES: C1=CC=C2C(=C1)C(=CC=C2Br)C3=CC=C(C=C3)Br
| PubChem CID | 57816069 |
|---|---|
| CAS | 952604-26-1 |
| Molecular Weight (g/mol) | 362.064 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Br)C3=CC=C(C=C3)Br |
| IUPAC Name | 1-bromo-4-(4-bromophenyl)naphthalene |
| InChI Key | APZXILAQCHOANP-UHFFFAOYSA-N |
| Molecular Formula | C16H10Br2 |
(4-Fluorophenyl)thiourea 97.0+%, TCI America™
CAS: 459-05-2 Molecular Formula: C7H7FN2S Molecular Weight (g/mol): 170.21 MDL Number: MFCD00041180 InChI Key: BRWKXKNZRVALNZ-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl thiourea,1-4-fluorophenyl-2-thiourea,4-fluorophenyl thiourea,n-4-fluorophenyl thiourea,p-fluorophenylthiourea,4-fluoro-phenyl-thiourea,thiourea, 4-fluorophenyl,amino 4-fluorophenyl amino methane-1-thione,pubchem10059,acmc-1ajjb PubChem CID: 693061 IUPAC Name: (4-fluorophenyl)thiourea SMILES: NC(=S)NC1=CC=C(F)C=C1
| PubChem CID | 693061 |
|---|---|
| CAS | 459-05-2 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00041180 |
| SMILES | NC(=S)NC1=CC=C(F)C=C1 |
| Synonym | 1-4-fluorophenyl thiourea,1-4-fluorophenyl-2-thiourea,4-fluorophenyl thiourea,n-4-fluorophenyl thiourea,p-fluorophenylthiourea,4-fluoro-phenyl-thiourea,thiourea, 4-fluorophenyl,amino 4-fluorophenyl amino methane-1-thione,pubchem10059,acmc-1ajjb |
| IUPAC Name | (4-fluorophenyl)thiourea |
| InChI Key | BRWKXKNZRVALNZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7FN2S |
2-Bromo-5-chlorobenzotrifluoride 98.0+%, TCI America™
CAS: 344-65-0 Molecular Formula: C7H3BrClF3 Molecular Weight (g/mol): 259.45 MDL Number: MFCD00010308 InChI Key: OSTIALFVJOFNPP-UHFFFAOYSA-N Synonym: 2-bromo-5-chlorobenzotrifluoride,1-bromo-4-chloro-2-trifluoromethyl benzene,benzene, 1-bromo-4-chloro-2-trifluoromethyl,2-bromo-5-chorobenzotrifluoride,2-bromo-5-chloro-alpha,alpha,alpha-trifluorotoluene,1-bromo-4-chloro-2-trifluoromethyl-benzene,4-chloro-2-trifluoromethyl bromobenzene,pubchem2713,bromo-5-chlorobenzotrifluoride PubChem CID: 136172 IUPAC Name: 1-bromo-4-chloro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)Br
| PubChem CID | 136172 |
|---|---|
| CAS | 344-65-0 |
| Molecular Weight (g/mol) | 259.45 |
| MDL Number | MFCD00010308 |
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)Br |
| Synonym | 2-bromo-5-chlorobenzotrifluoride,1-bromo-4-chloro-2-trifluoromethyl benzene,benzene, 1-bromo-4-chloro-2-trifluoromethyl,2-bromo-5-chorobenzotrifluoride,2-bromo-5-chloro-alpha,alpha,alpha-trifluorotoluene,1-bromo-4-chloro-2-trifluoromethyl-benzene,4-chloro-2-trifluoromethyl bromobenzene,pubchem2713,bromo-5-chlorobenzotrifluoride |
| IUPAC Name | 1-bromo-4-chloro-2-(trifluoromethyl)benzene |
| InChI Key | OSTIALFVJOFNPP-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClF3 |
4-Bromo-2-fluoroanisole 98.0+%, TCI America™
CAS: 2357-52-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00011710 InChI Key: DWNXGZBXFDNKOR-UHFFFAOYSA-N Synonym: 4-bromo-2-fluoroanisole,2-fluoro-4-bromoanisole,1-bromo-3-fluoro-4-methoxybenzene,benzene, 4-bromo-2-fluoro-1-methoxy,2-fluoro-4-bromo anisol,2-fluoro-4-bromo anisole,4-bromo-2-fluoro-1-methoxy-benzene,4-bromo-2-fluorophenylmethyl ether,4-brom-2-fluor-1-methoxybenzol,pubchem1971 PubChem CID: 75378 IUPAC Name: 4-bromo-2-fluoro-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Br)F
| PubChem CID | 75378 |
|---|---|
| CAS | 2357-52-0 |
| Molecular Weight (g/mol) | 205.026 |
| MDL Number | MFCD00011710 |
| SMILES | COC1=C(C=C(C=C1)Br)F |
| Synonym | 4-bromo-2-fluoroanisole,2-fluoro-4-bromoanisole,1-bromo-3-fluoro-4-methoxybenzene,benzene, 4-bromo-2-fluoro-1-methoxy,2-fluoro-4-bromo anisol,2-fluoro-4-bromo anisole,4-bromo-2-fluoro-1-methoxy-benzene,4-bromo-2-fluorophenylmethyl ether,4-brom-2-fluor-1-methoxybenzol,pubchem1971 |
| IUPAC Name | 4-bromo-2-fluoro-1-methoxybenzene |
| InChI Key | DWNXGZBXFDNKOR-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
[Bis(trifluoroacetoxy)iodo]pentafluorobenzene 97.0+%, TCI America™
CAS: 14353-88-9 Molecular Formula: C10F11IO4 Molecular Weight (g/mol): 519.99 MDL Number: MFCD00191612 InChI Key: OQWAXRPJEPTTSZ-UHFFFAOYSA-N Synonym: Pentafluoro[bis(trifluoroacetoxy)iodo]benzene PubChem CID: 626316 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate SMILES: FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F
| PubChem CID | 626316 |
|---|---|
| CAS | 14353-88-9 |
| Molecular Weight (g/mol) | 519.99 |
| MDL Number | MFCD00191612 |
| SMILES | FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F |
| Synonym | Pentafluoro[bis(trifluoroacetoxy)iodo]benzene |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate |
| InChI Key | OQWAXRPJEPTTSZ-UHFFFAOYSA-N |
| Molecular Formula | C10F11IO4 |
3,5-Di-tert-butylbenzaldehyde 97.0+%, TCI America™
CAS: 17610-00-3 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00026298 InChI Key: BRUITYMDHWNCIG-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylbenzaldehyde,3,5-bis tert-butyl benzaldehyde,3,5-di-t-butylbenzaldehyde,3,5-bis tert-butyl-1-formylbenzene,benzaldehyde, 3,5-bis 1,1-dimethylethyl,3,5-di-tert-butyl-benzaldehyde,acmc-20ai73,3,5-di-tertbutylbenzaldehyde,ksc181g1d,3,5-di-tert butylbenzaldehyde PubChem CID: 1268253 IUPAC Name: 3,5-di-tert-butylbenzaldehyde SMILES: CC(C)(C)C1=CC(=CC(C=O)=C1)C(C)(C)C
| PubChem CID | 1268253 |
|---|---|
| CAS | 17610-00-3 |
| Molecular Weight (g/mol) | 218.34 |
| MDL Number | MFCD00026298 |
| SMILES | CC(C)(C)C1=CC(=CC(C=O)=C1)C(C)(C)C |
| Synonym | 3,5-di-tert-butylbenzaldehyde,3,5-bis tert-butyl benzaldehyde,3,5-di-t-butylbenzaldehyde,3,5-bis tert-butyl-1-formylbenzene,benzaldehyde, 3,5-bis 1,1-dimethylethyl,3,5-di-tert-butyl-benzaldehyde,acmc-20ai73,3,5-di-tertbutylbenzaldehyde,ksc181g1d,3,5-di-tert butylbenzaldehyde |
| IUPAC Name | 3,5-di-tert-butylbenzaldehyde |
| InChI Key | BRUITYMDHWNCIG-UHFFFAOYSA-N |
| Molecular Formula | C15H22O |
4-Butoxybenzoic Acid 98.0+%, TCI America™
CAS: 1498-96-0 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00002546 InChI Key: LAUFPZPAKULAGB-UHFFFAOYSA-N Synonym: p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid PubChem CID: 72971 IUPAC Name: 4-butoxybenzoic acid SMILES: CCCCOC1=CC=C(C=C1)C(=O)O
| PubChem CID | 72971 |
|---|---|
| CAS | 1498-96-0 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00002546 |
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)O |
| Synonym | p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid |
| IUPAC Name | 4-butoxybenzoic acid |
| InChI Key | LAUFPZPAKULAGB-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |