Benzene and substituted derivatives
Filtered Search Results
2-Nitrobenzyl Alcohol 98.0+%, TCI America™
CAS: 612-25-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007186 InChI Key: BWRBVBFLFQKBPT-UHFFFAOYSA-N Synonym: 2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol PubChem CID: 11923 IUPAC Name: (2-nitrophenyl)methanol SMILES: OCC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 11923 |
|---|---|
| CAS | 612-25-9 |
| Molecular Weight (g/mol) | 153.14 |
| MDL Number | MFCD00007186 |
| SMILES | OCC1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol |
| IUPAC Name | (2-nitrophenyl)methanol |
| InChI Key | BWRBVBFLFQKBPT-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
Benzyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 94-18-8 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.25 MDL Number: MFCD00016471 InChI Key: MOZDKDIOPSPTBH-UHFFFAOYSA-N Synonym: benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester PubChem CID: 7180 ChEBI: CHEBI:34571 IUPAC Name: benzyl 4-hydroxybenzoate SMILES: OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1
| PubChem CID | 7180 |
|---|---|
| CAS | 94-18-8 |
| Molecular Weight (g/mol) | 228.25 |
| ChEBI | CHEBI:34571 |
| MDL Number | MFCD00016471 |
| SMILES | OC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 |
| Synonym | benzylparaben,benzyl p-hydroxybenzoate,nipabenzyl,parosept,benzyl paraben,benzyl parasept,benzyl tegosept,solbrol z,benzyl-parasept,p-hydroxybenzoic acid benzyl ester |
| IUPAC Name | benzyl 4-hydroxybenzoate |
| InChI Key | MOZDKDIOPSPTBH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
4-Ethylanisole 98.0+%, TCI America™
CAS: 1515-95-3 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00015176 InChI Key: HDNRAPAFJLXKBV-UHFFFAOYSA-N Synonym: 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv PubChem CID: 73690 IUPAC Name: 1-ethyl-4-methoxybenzene SMILES: CCC1=CC=C(C=C1)OC
| PubChem CID | 73690 |
|---|---|
| CAS | 1515-95-3 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00015176 |
| SMILES | CCC1=CC=C(C=C1)OC |
| Synonym | 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv |
| IUPAC Name | 1-ethyl-4-methoxybenzene |
| InChI Key | HDNRAPAFJLXKBV-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
| PubChem CID | 3463029 |
|---|---|
| CAS | 261621-12-9 |
| MDL Number | MFCD03701505 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| InChI Key | RDQWADDNQONTLB-UHFFFAOYSA-N |
| Molecular Formula | C12H21BO3Si |
| Formula Weight | 252.19 |
| Melting Point | 91°C |
Ethyl Pentafluorobenzoate 98.0+%, TCI America™
CAS: 4522-93-4 Molecular Formula: C9H5F5O2 Molecular Weight (g/mol): 240.13 MDL Number: MFCD00039211 InChI Key: DFUDMSIRGGTHGI-UHFFFAOYSA-N Synonym: ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester PubChem CID: 78283 IUPAC Name: ethyl 2,3,4,5,6-pentafluorobenzoate SMILES: CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 78283 |
|---|---|
| CAS | 4522-93-4 |
| Molecular Weight (g/mol) | 240.13 |
| MDL Number | MFCD00039211 |
| SMILES | CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester |
| IUPAC Name | ethyl 2,3,4,5,6-pentafluorobenzoate |
| InChI Key | DFUDMSIRGGTHGI-UHFFFAOYSA-N |
| Molecular Formula | C9H5F5O2 |
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 |
2-Chloro-4-methylaniline 98.0+%, TCI America™
CAS: 615-65-6 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00007666 InChI Key: XGYLSRFSXKAYCR-UHFFFAOYSA-N Synonym: 2-chloro-p-toluidine,benzenamine, 2-chloro-4-methyl,4-amino-3-chlorotoluene,p-toluidine, 2-chloro,2-chlor-4-toluidin,4-methyl-2-chloroaniline,unii-k59isj2ko1,2-chlor-4-toluidin czech,ccris 2887,3-chloro-4-aminotoluene PubChem CID: 12007 IUPAC Name: 2-chloro-4-methylaniline SMILES: CC1=CC(=C(C=C1)N)Cl
| PubChem CID | 12007 |
|---|---|
| CAS | 615-65-6 |
| Molecular Weight (g/mol) | 141.598 |
| MDL Number | MFCD00007666 |
| SMILES | CC1=CC(=C(C=C1)N)Cl |
| Synonym | 2-chloro-p-toluidine,benzenamine, 2-chloro-4-methyl,4-amino-3-chlorotoluene,p-toluidine, 2-chloro,2-chlor-4-toluidin,4-methyl-2-chloroaniline,unii-k59isj2ko1,2-chlor-4-toluidin czech,ccris 2887,3-chloro-4-aminotoluene |
| IUPAC Name | 2-chloro-4-methylaniline |
| InChI Key | XGYLSRFSXKAYCR-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene 98.0+%, TCI America™
CAS: 405074-81-9 Molecular Formula: C9HF11O4S2 Molecular Weight (g/mol): 446.205 MDL Number: MFCD04117910 InChI Key: RLLDXJXYMKTGPV-UHFFFAOYSA-N Synonym: alpha,alpha-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene, 2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane PubChem CID: 10203986 IUPAC Name: 1-[bis(trifluoromethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
| PubChem CID | 10203986 |
|---|---|
| CAS | 405074-81-9 |
| Molecular Weight (g/mol) | 446.205 |
| MDL Number | MFCD04117910 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F |
| Synonym | alpha,alpha-Bis(trifluoromethanesulfonyl)-2,3,4,5,6-pentafluorotoluene, 2,3,4,5,6-Pentafluorophenylbis(trifluoromethanesulfonyl)methane |
| IUPAC Name | 1-[bis(trifluoromethylsulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene |
| InChI Key | RLLDXJXYMKTGPV-UHFFFAOYSA-N |
| Molecular Formula | C9HF11O4S2 |
3-Acetamidobenzoic Acid 99.0+%, TCI America™
CAS: 587-48-4 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00013983 InChI Key: RGDPZMQZWZMONQ-UHFFFAOYSA-N Synonym: 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide PubChem CID: 48847 IUPAC Name: 3-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=CC(=C1)C(=O)O
| PubChem CID | 48847 |
|---|---|
| CAS | 587-48-4 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00013983 |
| SMILES | CC(=O)NC1=CC=CC(=C1)C(=O)O |
| Synonym | 3-acetylamino benzoic acid,benzoic acid, 3-acetylamino,3-acetylaminobenzoic acid,m-acetylaminobenzoic acid,benzoic acid, m-acetamido,n-acetyl-m-aminobenzoic acid,3-acetylamino-benzoic acid,3-acetylamino-benzoicaci,3-acetamidobenzoicacid,3'-carboxyacetanilide |
| IUPAC Name | 3-acetamidobenzoic acid |
| InChI Key | RGDPZMQZWZMONQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
Hexestrol 98.0+%, TCI America™
CAS: 84-16-2 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.37 MDL Number: MFCD00068996 InChI Key: PBBGSZCBWVPOOL-UHFFFAOYNA-N Synonym: hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar PubChem CID: 192197 IUPAC Name: 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol SMILES: CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
| PubChem CID | 192197 |
|---|---|
| CAS | 84-16-2 |
| Molecular Weight (g/mol) | 270.37 |
| MDL Number | MFCD00068996 |
| SMILES | CCC(C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
| Synonym | hexestrol,meso-hexestrol,hexoestrol,hexanoestrol,hexestrofen,mesohexestrol,erythrohexestrol,estra-plex,cycloestrol,estrifar |
| IUPAC Name | 4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol |
| InChI Key | PBBGSZCBWVPOOL-UHFFFAOYNA-N |
| Molecular Formula | C18H22O2 |
1,2-Dichloro-4-iodobenzene 98.0+%, TCI America™
CAS: 20555-91-3 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.894 MDL Number: MFCD00019014 InChI Key: NADPFZNWCQIJJW-UHFFFAOYSA-N Synonym: 3,4-dichloroiodobenzene,benzene, 1,2-dichloro-4-iodo,maybridge1_001437,pubchem3691,acmc-209fbv,3,4-dichloro-iodobenzene,1,2-dichloro-5-iodobenzene,1-iodo-3,4-dichlorobenzene,3,4-dichloro-1-iodobenzene,4-iodo-1,2-dichlorobenzene PubChem CID: 88591 IUPAC Name: 1,2-dichloro-4-iodobenzene SMILES: C1=CC(=C(C=C1I)Cl)Cl
| PubChem CID | 88591 |
|---|---|
| CAS | 20555-91-3 |
| Molecular Weight (g/mol) | 272.894 |
| MDL Number | MFCD00019014 |
| SMILES | C1=CC(=C(C=C1I)Cl)Cl |
| Synonym | 3,4-dichloroiodobenzene,benzene, 1,2-dichloro-4-iodo,maybridge1_001437,pubchem3691,acmc-209fbv,3,4-dichloro-iodobenzene,1,2-dichloro-5-iodobenzene,1-iodo-3,4-dichlorobenzene,3,4-dichloro-1-iodobenzene,4-iodo-1,2-dichlorobenzene |
| IUPAC Name | 1,2-dichloro-4-iodobenzene |
| InChI Key | NADPFZNWCQIJJW-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2I |
3-Oxo-N-(4-trifluoromethylphenyl)butyramide 98.0+%, TCI America™
CAS: 351-87-1 Molecular Formula: C11H10F3NO2 Molecular Weight (g/mol): 245.201 MDL Number: MFCD00231301 InChI Key: GGDAWUSJZZHVBR-UHFFFAOYSA-N Synonym: 4′C-(Trifluoromethyl)acetoacetanilide PubChem CID: 1472078 IUPAC Name: 3-oxo-N-[4-(trifluoromethyl)phenyl]butanamide SMILES: CC(=O)CC(=O)NC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 1472078 |
|---|---|
| CAS | 351-87-1 |
| Molecular Weight (g/mol) | 245.201 |
| MDL Number | MFCD00231301 |
| SMILES | CC(=O)CC(=O)NC1=CC=C(C=C1)C(F)(F)F |
| Synonym | 4′C-(Trifluoromethyl)acetoacetanilide |
| IUPAC Name | 3-oxo-N-[4-(trifluoromethyl)phenyl]butanamide |
| InChI Key | GGDAWUSJZZHVBR-UHFFFAOYSA-N |
| Molecular Formula | C11H10F3NO2 |
4,4'-Dimethylbenzhydrol 98.0+%, TCI America™
CAS: 885-77-8 Molecular Formula: C15H16O Molecular Weight (g/mol): 212.292 MDL Number: MFCD00017216 InChI Key: RGYZQSCFKFDECZ-UHFFFAOYSA-N Synonym: 4,4'-dimethylbenzhydrol,di-p-tolylmethanol,bis 4-methylphenyl methanol,benzenemethanol, 4-methyl-.alpha.-4-methylphenyl,benzhydrol, 4,4'-dimethyl,di p-tolyl methanol,4,4-dimethylbenzhydrol,4,4'-ditolyl carbinol,benzhydrol,4'-dimethyl PubChem CID: 279356 IUPAC Name: bis(4-methylphenyl)methanol SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O
| PubChem CID | 279356 |
|---|---|
| CAS | 885-77-8 |
| Molecular Weight (g/mol) | 212.292 |
| MDL Number | MFCD00017216 |
| SMILES | CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)O |
| Synonym | 4,4'-dimethylbenzhydrol,di-p-tolylmethanol,bis 4-methylphenyl methanol,benzenemethanol, 4-methyl-.alpha.-4-methylphenyl,benzhydrol, 4,4'-dimethyl,di p-tolyl methanol,4,4-dimethylbenzhydrol,4,4'-ditolyl carbinol,benzhydrol,4'-dimethyl |
| IUPAC Name | bis(4-methylphenyl)methanol |
| InChI Key | RGYZQSCFKFDECZ-UHFFFAOYSA-N |
| Molecular Formula | C15H16O |
2-Chlorobenzyl Thiocyanate 98.0+%, TCI America™
CAS: 2082-66-8 Molecular Formula: C8H6ClNS Molecular Weight (g/mol): 183.65 MDL Number: MFCD09025671 InChI Key: BEQHMRYBIXNFTP-UHFFFAOYSA-N Synonym: Thiocyanic Acid 2-Chlorobenzyl Ester PubChem CID: 286723 IUPAC Name: {[(2-chlorophenyl)methyl]sulfanyl}carbonitrile SMILES: ClC1=CC=CC=C1CSC#N
| PubChem CID | 286723 |
|---|---|
| CAS | 2082-66-8 |
| Molecular Weight (g/mol) | 183.65 |
| MDL Number | MFCD09025671 |
| SMILES | ClC1=CC=CC=C1CSC#N |
| Synonym | Thiocyanic Acid 2-Chlorobenzyl Ester |
| IUPAC Name | {[(2-chlorophenyl)methyl]sulfanyl}carbonitrile |
| InChI Key | BEQHMRYBIXNFTP-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNS |