Benzene and substituted derivatives
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(tert-Butoxycarbonylmethyl)triphenylphosphonium Bromide 98.0+%, TCI America™
CAS: 59159-39-6 Molecular Formula: C24H26BrO2P Molecular Weight (g/mol): 457.35 MDL Number: MFCD00075527 InChI Key: ZGLFRTJDWWKIAK-UHFFFAOYSA-M Synonym: tert-butoxycarbonylmethyl triphenylphosphonium bromide,tert-butoxycarbonylmethyl triphenylphosphanium bromide,2-tert-butoxy-2-oxoethyl triphenylphosphonium bromide,phosphonium, 2-1,1-dimethylethoxy-2-oxoethyl triphenyl-, bromide,2-tert-butoxy-2-oxoethyl triphenylphosphanium bromide,acmc-20apek,ksc609k1l,carbo-t-butoxymethyl triphenylphosphonium bromide,tert-butoxy carbonyl methyl triphenyl phosphoniu PubChem CID: 2733853 IUPAC Name: [2-(tert-butoxy)-2-oxoethyl]triphenylphosphanium bromide SMILES: [Br-].CC(C)(C)OC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2733853 |
|---|---|
| CAS | 59159-39-6 |
| Molecular Weight (g/mol) | 457.35 |
| MDL Number | MFCD00075527 |
| SMILES | [Br-].CC(C)(C)OC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tert-butoxycarbonylmethyl triphenylphosphonium bromide,tert-butoxycarbonylmethyl triphenylphosphanium bromide,2-tert-butoxy-2-oxoethyl triphenylphosphonium bromide,phosphonium, 2-1,1-dimethylethoxy-2-oxoethyl triphenyl-, bromide,2-tert-butoxy-2-oxoethyl triphenylphosphanium bromide,acmc-20apek,ksc609k1l,carbo-t-butoxymethyl triphenylphosphonium bromide,tert-butoxy carbonyl methyl triphenyl phosphoniu |
| IUPAC Name | [2-(tert-butoxy)-2-oxoethyl]triphenylphosphanium bromide |
| InChI Key | ZGLFRTJDWWKIAK-UHFFFAOYSA-M |
| Molecular Formula | C24H26BrO2P |
tert-Butyl Benzoate 98.0+%, TCI America™
CAS: 774-65-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00048244 InChI Key: LYDRKKWPKKEMNZ-UHFFFAOYSA-N Synonym: Benzoic Acid tert-Butyl Ester PubChem CID: 69886 ChEBI: CHEBI:34034 IUPAC Name: tert-butyl benzoate SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1
| PubChem CID | 69886 |
|---|---|
| CAS | 774-65-2 |
| Molecular Weight (g/mol) | 178.231 |
| ChEBI | CHEBI:34034 |
| MDL Number | MFCD00048244 |
| SMILES | CC(C)(C)OC(=O)C1=CC=CC=C1 |
| Synonym | Benzoic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl benzoate |
| InChI Key | LYDRKKWPKKEMNZ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4-Hexyloxyphthalonitrile 95.0+%, TCI America™
CAS: 104949-82-8 Molecular Formula: C14H16N2O Molecular Weight (g/mol): 228.295 MDL Number: MFCD00059077 InChI Key: BMXSATBWGFIAPA-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4-hexyloxybenzene PubChem CID: 538284 IUPAC Name: 4-hexoxybenzene-1,2-dicarbonitrile SMILES: CCCCCCOC1=CC(=C(C=C1)C#N)C#N
| PubChem CID | 538284 |
|---|---|
| CAS | 104949-82-8 |
| Molecular Weight (g/mol) | 228.295 |
| MDL Number | MFCD00059077 |
| SMILES | CCCCCCOC1=CC(=C(C=C1)C#N)C#N |
| Synonym | 1,2-Dicyano-4-hexyloxybenzene |
| IUPAC Name | 4-hexoxybenzene-1,2-dicarbonitrile |
| InChI Key | BMXSATBWGFIAPA-UHFFFAOYSA-N |
| Molecular Formula | C14H16N2O |
4-(cis-4-Hydroxycyclohexyl)phenol 97.0+%, TCI America™
CAS: 370860-74-5 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD03093649,MFCD23380209 InChI Key: LSVLMFBVUQQWOQ-UHFFFAOYSA-N PubChem CID: 10176498 IUPAC Name: 4-(4-hydroxycyclohexyl)phenol SMILES: OC1CCC(CC1)C1=CC=C(O)C=C1
| PubChem CID | 10176498 |
|---|---|
| CAS | 370860-74-5 |
| Molecular Weight (g/mol) | 192.26 |
| MDL Number | MFCD03093649,MFCD23380209 |
| SMILES | OC1CCC(CC1)C1=CC=C(O)C=C1 |
| IUPAC Name | 4-(4-hydroxycyclohexyl)phenol |
| InChI Key | LSVLMFBVUQQWOQ-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
1-Phenyl-3-thiosemicarbazide 98.0+%, TCI America™
CAS: 645-48-7 Molecular Formula: C7H9N3S Molecular Weight (g/mol): 167.23 MDL Number: MFCD00042739 InChI Key: JDXKTOBMLZLCSB-UHFFFAOYSA-N PubChem CID: 2781094 IUPAC Name: anilinothiourea SMILES: C1=CC=C(C=C1)NNC(=S)N
| PubChem CID | 2781094 |
|---|---|
| CAS | 645-48-7 |
| Molecular Weight (g/mol) | 167.23 |
| MDL Number | MFCD00042739 |
| SMILES | C1=CC=C(C=C1)NNC(=S)N |
| IUPAC Name | anilinothiourea |
| InChI Key | JDXKTOBMLZLCSB-UHFFFAOYSA-N |
| Molecular Formula | C7H9N3S |
2-(Trifluoromethoxy)benzylamine 98.0+%, TCI America™
CAS: 175205-64-8 Molecular Formula: C8H9F3NO Molecular Weight (g/mol): 192.16 MDL Number: MFCD00085176 InChI Key: FYXMMFFZMQMXCQ-UHFFFAOYSA-O Synonym: 2-trifluoromethoxy benzylamine,2-trifluoromethoxy phenyl methanamine,2-trifluoromethoxybenzylamine,o-trifluoromethoxybenzyl amine,1-2-trifluoromethoxy phenyl methanamine,2-trifluormethoxybenzylamine,benzenemethanamine, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methylamine,pubchem4432 PubChem CID: 2777251 IUPAC Name: [2-(trifluoromethoxy)phenyl]methanaminium SMILES: [NH3+]CC1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777251 |
|---|---|
| CAS | 175205-64-8 |
| Molecular Weight (g/mol) | 192.16 |
| MDL Number | MFCD00085176 |
| SMILES | [NH3+]CC1=CC=CC=C1OC(F)(F)F |
| Synonym | 2-trifluoromethoxy benzylamine,2-trifluoromethoxy phenyl methanamine,2-trifluoromethoxybenzylamine,o-trifluoromethoxybenzyl amine,1-2-trifluoromethoxy phenyl methanamine,2-trifluormethoxybenzylamine,benzenemethanamine, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methylamine,pubchem4432 |
| IUPAC Name | [2-(trifluoromethoxy)phenyl]methanaminium |
| InChI Key | FYXMMFFZMQMXCQ-UHFFFAOYSA-O |
| Molecular Formula | C8H9F3NO |
Methyl p-Tolyl Sulfone 98.0+%, TCI America™
CAS: 3185-99-7 Molecular Formula: C8H10O2S Molecular Weight (g/mol): 170.23 MDL Number: MFCD00014742 InChI Key: YYDNBUBMBZRNQQ-UHFFFAOYSA-N Synonym: methyl p-tolyl sulfone,1-methyl-4-methylsulfonyl benzene,4-methylsulfonyl toluene,benzene, 1-methyl-4-methylsulfonyl,p-tolyl methyl sulfone,sulfone, methyl p-tolyl,4-methylsulphonyl toluene,1-methanesulfonyl-4-methyl-benzene,unii-tg77sm513a,p-methylsulfonyltoluene PubChem CID: 18521 IUPAC Name: 1-methanesulfonyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(C)(=O)=O
| PubChem CID | 18521 |
|---|---|
| CAS | 3185-99-7 |
| Molecular Weight (g/mol) | 170.23 |
| MDL Number | MFCD00014742 |
| SMILES | CC1=CC=C(C=C1)S(C)(=O)=O |
| Synonym | methyl p-tolyl sulfone,1-methyl-4-methylsulfonyl benzene,4-methylsulfonyl toluene,benzene, 1-methyl-4-methylsulfonyl,p-tolyl methyl sulfone,sulfone, methyl p-tolyl,4-methylsulphonyl toluene,1-methanesulfonyl-4-methyl-benzene,unii-tg77sm513a,p-methylsulfonyltoluene |
| IUPAC Name | 1-methanesulfonyl-4-methylbenzene |
| InChI Key | YYDNBUBMBZRNQQ-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2S |
(R)-N-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide 98.0+%, TCI America™
CAS: 105024-93-9 Molecular Formula: C25H24N2O2 Molecular Weight (g/mol): 384.479 MDL Number: MFCD18910207 InChI Key: IPSABLMEYFYEHS-HSZRJFAPSA-N PubChem CID: 980838 IUPAC Name: (2R)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide SMILES: C1CC(N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4
| PubChem CID | 980838 |
|---|---|
| CAS | 105024-93-9 |
| Molecular Weight (g/mol) | 384.479 |
| MDL Number | MFCD18910207 |
| SMILES | C1CC(N(C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)C4=CC=CC=C4 |
| IUPAC Name | (2R)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide |
| InChI Key | IPSABLMEYFYEHS-HSZRJFAPSA-N |
| Molecular Formula | C25H24N2O2 |
3,4,5-Trimethoxybenzylamine 97.0+%, TCI America™
CAS: 18638-99-8 Molecular Formula: C10H15NO3 Molecular Weight (g/mol): 197.234 MDL Number: MFCD00017150 InChI Key: YUPUSBMJCFBHAP-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine PubChem CID: 87736 IUPAC Name: (3,4,5-trimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1OC)OC)CN
| PubChem CID | 87736 |
|---|---|
| CAS | 18638-99-8 |
| Molecular Weight (g/mol) | 197.234 |
| MDL Number | MFCD00017150 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CN |
| Synonym | 3,4,5-trimethoxybenzylamine,3,4,5-trimethoxyphenyl methanamine,1-3,4,5-trimethoxyphenyl methanamine,benzenemethanamine, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methylamine,1-3,4,5-trimethoxyphenyl methanamine hydrochloride,pubchem16674,acmc-1c5ez,ksc495e6b,3,4,5-trimethoxy benzylamine |
| IUPAC Name | (3,4,5-trimethoxyphenyl)methanamine |
| InChI Key | YUPUSBMJCFBHAP-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO3 |
4-Bromobenzyl Alcohol 99.0+%, TCI America™
CAS: 873-75-6 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00004650 InChI Key: VEDDBHYQWFOITD-UHFFFAOYSA-N Synonym: 4-bromobenzyl alcohol,4-bromophenyl methanol,p-bromobenzyl alcohol,benzenemethanol, 4-bromo,para-bromobenzyl alcohol,4-bromobenzylalcohol,p-bromo-benzyl alcohol,ccris 5119,4-bromophenyl-methanol,benzyl alcohol, p-bromo PubChem CID: 70119 IUPAC Name: (4-bromophenyl)methanol SMILES: C1=CC(=CC=C1CO)Br
| PubChem CID | 70119 |
|---|---|
| CAS | 873-75-6 |
| Molecular Weight (g/mol) | 187.036 |
| MDL Number | MFCD00004650 |
| SMILES | C1=CC(=CC=C1CO)Br |
| Synonym | 4-bromobenzyl alcohol,4-bromophenyl methanol,p-bromobenzyl alcohol,benzenemethanol, 4-bromo,para-bromobenzyl alcohol,4-bromobenzylalcohol,p-bromo-benzyl alcohol,ccris 5119,4-bromophenyl-methanol,benzyl alcohol, p-bromo |
| IUPAC Name | (4-bromophenyl)methanol |
| InChI Key | VEDDBHYQWFOITD-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
2-Fluoro-4-formylbenzonitrile 97.0+%, TCI America™
CAS: 101048-76-4 Molecular Formula: C8H4FNO Molecular Weight (g/mol): 149.12 MDL Number: MFCD06738989 InChI Key: MYUPCEIJNBAAFL-UHFFFAOYSA-N Synonym: 4-Cyano-3-fluorobenzaldehyde PubChem CID: 11217339 IUPAC Name: 2-fluoro-4-formylbenzonitrile SMILES: FC1=C(C=CC(C=O)=C1)C#N
| PubChem CID | 11217339 |
|---|---|
| CAS | 101048-76-4 |
| Molecular Weight (g/mol) | 149.12 |
| MDL Number | MFCD06738989 |
| SMILES | FC1=C(C=CC(C=O)=C1)C#N |
| Synonym | 4-Cyano-3-fluorobenzaldehyde |
| IUPAC Name | 2-fluoro-4-formylbenzonitrile |
| InChI Key | MYUPCEIJNBAAFL-UHFFFAOYSA-N |
| Molecular Formula | C8H4FNO |
Dimethyl 5-Aminoisophthalate 98.0+%, TCI America™
CAS: 99-27-4 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.201 MDL Number: MFCD00008435 InChI Key: DEKPYXUDJRABNK-UHFFFAOYSA-N PubChem CID: 66831 IUPAC Name: dimethyl 5-aminobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)N)C(=O)OC
| PubChem CID | 66831 |
|---|---|
| CAS | 99-27-4 |
| Molecular Weight (g/mol) | 209.201 |
| MDL Number | MFCD00008435 |
| SMILES | COC(=O)C1=CC(=CC(=C1)N)C(=O)OC |
| IUPAC Name | dimethyl 5-aminobenzene-1,3-dicarboxylate |
| InChI Key | DEKPYXUDJRABNK-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO4 |
5-(4-Fluorophenoxy)valeric Acid 98.0+%, TCI America™
CAS: 347867-75-8 Molecular Formula: C11H13FO3 Molecular Weight (g/mol): 212.22 MDL Number: MFCD02093469 InChI Key: SNUHBWJBUYDESY-UHFFFAOYSA-N PubChem CID: 22556441 IUPAC Name: 5-(4-fluorophenoxy)pentanoic acid SMILES: C1=CC(=CC=C1OCCCCC(=O)O)F
| PubChem CID | 22556441 |
|---|---|
| CAS | 347867-75-8 |
| Molecular Weight (g/mol) | 212.22 |
| MDL Number | MFCD02093469 |
| SMILES | C1=CC(=CC=C1OCCCCC(=O)O)F |
| IUPAC Name | 5-(4-fluorophenoxy)pentanoic acid |
| InChI Key | SNUHBWJBUYDESY-UHFFFAOYSA-N |
| Molecular Formula | C11H13FO3 |
m-Acetotoluidine 98.0+%, TCI America™
CAS: 537-92-8 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00014962 InChI Key: ALMHSXDYCFOZQD-UHFFFAOYSA-N Synonym: 3'-methylacetanilide,n-acetyl-m-toluidine,m-acetotoluidide,3-methylacetanilide,n-3-methylphenyl acetamide,m-acetotoluide,3-acetamidotoluene,n-m-tolylacetamide,m-methylacetanilide,aceto-m-aminotoluene PubChem CID: 10843 IUPAC Name: N-(3-methylphenyl)acetamide SMILES: CC1=CC(=CC=C1)NC(=O)C
| PubChem CID | 10843 |
|---|---|
| CAS | 537-92-8 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD00014962 |
| SMILES | CC1=CC(=CC=C1)NC(=O)C |
| Synonym | 3'-methylacetanilide,n-acetyl-m-toluidine,m-acetotoluidide,3-methylacetanilide,n-3-methylphenyl acetamide,m-acetotoluide,3-acetamidotoluene,n-m-tolylacetamide,m-methylacetanilide,aceto-m-aminotoluene |
| IUPAC Name | N-(3-methylphenyl)acetamide |
| InChI Key | ALMHSXDYCFOZQD-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
| PubChem CID | 2734354 |
|---|---|
| CAS | 1993-03-9 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00674013 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=CC=C1F)(O)O |
| Synonym | 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl |
| TSCA | No |
| IUPAC Name | (2-fluorophenyl)boronic acid |
| InChI Key | QCSLIRFWJPOENV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
| Formula Weight | 139.92 |
| Melting Point | 110°C |