Benzene and substituted derivatives
Filtered Search Results
2-Isopropylphenyl isothiocyanate, ≥95%, Thermo Scientific™
CAS: 36176-31-5 Molecular Formula: C10H11NS Molecular Weight (g/mol): 177.265 MDL Number: MFCD00022053 InChI Key: QQOOMDSEMQHMIR-UHFFFAOYSA-N Synonym: 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate PubChem CID: 142052 IUPAC Name: 1-isothiocyanato-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1N=C=S
| PubChem CID | 142052 |
|---|---|
| CAS | 36176-31-5 |
| Molecular Weight (g/mol) | 177.265 |
| MDL Number | MFCD00022053 |
| SMILES | CC(C)C1=CC=CC=C1N=C=S |
| Synonym | 2-isopropylphenyl isothiocyanate,1-isopropyl-2-isothiocyanatobenzene,1-isothiocyanato-2-propan-2-yl benzene,benzene, 1-isothiocyanato-2-1-methylethyl,2-methylethyl benzenisothiocyanate,2-isopropylphenylisothiocyanate,acmc-20ansf,2-isopropylphenyl-isothiocyanate,2-iso-propylphenyl isothiocyanate |
| IUPAC Name | 1-isothiocyanato-2-propan-2-ylbenzene |
| InChI Key | QQOOMDSEMQHMIR-UHFFFAOYSA-N |
| Molecular Formula | C10H11NS |
3-Methoxybenzylamine, 97%
CAS: 5071-96-5 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008115 InChI Key: GRRIMVWABNHKBX-UHFFFAOYSA-N Synonym: 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 PubChem CID: 21156 IUPAC Name: (3-methoxyphenyl)methanamine SMILES: COC1=CC=CC(CN)=C1
| PubChem CID | 21156 |
|---|---|
| CAS | 5071-96-5 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00008115 |
| SMILES | COC1=CC=CC(CN)=C1 |
| Synonym | 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 |
| IUPAC Name | (3-methoxyphenyl)methanamine |
| InChI Key | GRRIMVWABNHKBX-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
o-Toluic hydrazide, 98+%
CAS: 7658-80-2 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00014756 InChI Key: KFXLXEQCRFGDRU-UHFFFAOYSA-N Synonym: o-toluic hydrazide,o-toluic acid hydrazide,o-toluohydrazide,2-toluic hydrazide,2-methyl-benzoic acid hydrazide,benzoylhydrazine, o-methyl,benzoic acid, 2-methyl-, hydrazide,2-methylbenzenecarbohydrazide,methylbenzohydrazide,2-methylbenzhydrazide PubChem CID: 82110 IUPAC Name: 2-methylbenzohydrazide SMILES: CC1=CC=CC=C1C(=O)NN
| PubChem CID | 82110 |
|---|---|
| CAS | 7658-80-2 |
| Molecular Weight (g/mol) | 150.181 |
| MDL Number | MFCD00014756 |
| SMILES | CC1=CC=CC=C1C(=O)NN |
| Synonym | o-toluic hydrazide,o-toluic acid hydrazide,o-toluohydrazide,2-toluic hydrazide,2-methyl-benzoic acid hydrazide,benzoylhydrazine, o-methyl,benzoic acid, 2-methyl-, hydrazide,2-methylbenzenecarbohydrazide,methylbenzohydrazide,2-methylbenzhydrazide |
| IUPAC Name | 2-methylbenzohydrazide |
| InChI Key | KFXLXEQCRFGDRU-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
(1-Pentyl)triphenylphosphonium bromide, 98%
CAS: 21406-61-1 Molecular Formula: C23H26BrP Molecular Weight (g/mol): 413.34 MDL Number: MFCD00031630 InChI Key: VAUKWMSXUKODHR-UHFFFAOYSA-M Synonym: pentyltriphenylphosphonium bromide,amyltriphenylphosphonium bromide,n-amyl triphenylphosphonium bromide,pentyltriphenylphosphanium bromide,1-pentyl triphenylphosphonium bromide,triphenyl-n-amylphosphonium bromide,pentyl triphenyl phosphanium bromide,phosphonium, pentyltriphenyl-, bromide,pentyl triphenyl phosphonium bromide,pubchem15722 PubChem CID: 2724565 IUPAC Name: pentyl(triphenyl)phosphanium;bromide SMILES: [Br-].CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724565 |
|---|---|
| CAS | 21406-61-1 |
| Molecular Weight (g/mol) | 413.34 |
| MDL Number | MFCD00031630 |
| SMILES | [Br-].CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | pentyltriphenylphosphonium bromide,amyltriphenylphosphonium bromide,n-amyl triphenylphosphonium bromide,pentyltriphenylphosphanium bromide,1-pentyl triphenylphosphonium bromide,triphenyl-n-amylphosphonium bromide,pentyl triphenyl phosphanium bromide,phosphonium, pentyltriphenyl-, bromide,pentyl triphenyl phosphonium bromide,pubchem15722 |
| IUPAC Name | pentyl(triphenyl)phosphanium;bromide |
| InChI Key | VAUKWMSXUKODHR-UHFFFAOYSA-M |
| Molecular Formula | C23H26BrP |
1-(4-Bromobenzyl)-4-methylperhydro-1,4-diazepine, 97%, Thermo Scientific™
CAS: 280560-78-3 Molecular Formula: C13H19BrN2 Molecular Weight (g/mol): 283.213 MDL Number: MFCD00810550 InChI Key: WQUWRVLHCKJAMG-UHFFFAOYSA-N Synonym: 1-4-bromobenzyl-4-methylperhydro-1,4-diazepine,1-4-bromophenyl methyl-4-methyl-1,4-diazepane,1-4-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5258520,1h-1,4-diazepine,1-4-bromophenyl methyl hexahydro-4-methyl PubChem CID: 763047 IUPAC Name: 1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane SMILES: CN1CCCN(CC1)CC2=CC=C(C=C2)Br
| PubChem CID | 763047 |
|---|---|
| CAS | 280560-78-3 |
| Molecular Weight (g/mol) | 283.213 |
| MDL Number | MFCD00810550 |
| SMILES | CN1CCCN(CC1)CC2=CC=C(C=C2)Br |
| Synonym | 1-4-bromobenzyl-4-methylperhydro-1,4-diazepine,1-4-bromophenyl methyl-4-methyl-1,4-diazepane,1-4-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5258520,1h-1,4-diazepine,1-4-bromophenyl methyl hexahydro-4-methyl |
| IUPAC Name | 1-[(4-bromophenyl)methyl]-4-methyl-1,4-diazepane |
| InChI Key | WQUWRVLHCKJAMG-UHFFFAOYSA-N |
| Molecular Formula | C13H19BrN2 |
(1S,2S)-(+)-2-Benzyloxycyclohexylamine, ChiPros 99+%, ee 99%
CAS: 216394-07-9 Molecular Formula: C13H19NO Molecular Weight (g/mol): 205.30 MDL Number: MFCD01075753 InChI Key: NTHNRYLIXJZHRZ-UHFFFAOYNA-N PubChem CID: 11908838 IUPAC Name: (1S,2S)-2-phenylmethoxycyclohexan-1-amine SMILES: NC1CCCCC1OCC1=CC=CC=C1
| PubChem CID | 11908838 |
|---|---|
| CAS | 216394-07-9 |
| Molecular Weight (g/mol) | 205.30 |
| MDL Number | MFCD01075753 |
| SMILES | NC1CCCCC1OCC1=CC=CC=C1 |
| IUPAC Name | (1S,2S)-2-phenylmethoxycyclohexan-1-amine |
| InChI Key | NTHNRYLIXJZHRZ-UHFFFAOYNA-N |
| Molecular Formula | C13H19NO |
[2-(2-Furyl)phenyl]methanol, ≥97%, Thermo Scientific™
CAS: 139697-88-4 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.20 MDL Number: MFCD06203101 InChI Key: NBLMKRIYULDNBF-UHFFFAOYSA-N Synonym: 2-2-furyl phenyl methanol,2-furan-2-yl phenyl methanol,2-fur-2-yl benzyl alcohol,2-2-furyl benzenemethanol,2-fur-2-yl phenyl methanol,benzenemethanol,2-2-furanyl,2-2-furyl phenyl methan-1-ol PubChem CID: 10855985 IUPAC Name: [2-(furan-2-yl)phenyl]methanol SMILES: OCC1=CC=CC=C1C1=CC=CO1
| PubChem CID | 10855985 |
|---|---|
| CAS | 139697-88-4 |
| Molecular Weight (g/mol) | 174.20 |
| MDL Number | MFCD06203101 |
| SMILES | OCC1=CC=CC=C1C1=CC=CO1 |
| Synonym | 2-2-furyl phenyl methanol,2-furan-2-yl phenyl methanol,2-fur-2-yl benzyl alcohol,2-2-furyl benzenemethanol,2-fur-2-yl phenyl methanol,benzenemethanol,2-2-furanyl,2-2-furyl phenyl methan-1-ol |
| IUPAC Name | [2-(furan-2-yl)phenyl]methanol |
| InChI Key | NBLMKRIYULDNBF-UHFFFAOYSA-N |
| Molecular Formula | C11H10O2 |
p-Toluenesulfonylacetic acid, 98%
CAS: 3937-96-0 Molecular Formula: C9H10O4S Molecular Weight (g/mol): 214.235 MDL Number: MFCD00021764 InChI Key: AQDHXMBUTDLAMD-UHFFFAOYSA-N Synonym: 2-tosylacetic acid,4-toluenesulfonylacetic acid,4-methylphenyl sulfonyl acetic acid,2-p-toluenesulfonyl acetic acid,tosylacetic acid,unii-yid78nf77o,p-toluenesulphonylacetic acid,4-toluenesulphonylacetic acid,p-toluenesulfonylacetic acid,yid78nf77o PubChem CID: 77538 IUPAC Name: 2-(4-methylphenyl)sulfonylacetic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O
| PubChem CID | 77538 |
|---|---|
| CAS | 3937-96-0 |
| Molecular Weight (g/mol) | 214.235 |
| MDL Number | MFCD00021764 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O |
| Synonym | 2-tosylacetic acid,4-toluenesulfonylacetic acid,4-methylphenyl sulfonyl acetic acid,2-p-toluenesulfonyl acetic acid,tosylacetic acid,unii-yid78nf77o,p-toluenesulphonylacetic acid,4-toluenesulphonylacetic acid,p-toluenesulfonylacetic acid,yid78nf77o |
| IUPAC Name | 2-(4-methylphenyl)sulfonylacetic acid |
| InChI Key | AQDHXMBUTDLAMD-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4S |
2-Amino-5-fluorobenzoic acid, 97%
CAS: 446-08-2 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00055566 InChI Key: FPQMGQZTBWIHDN-UHFFFAOYSA-N Synonym: 5-fluoroanthranilic acid,2-amino-5-fluoro-benzoic acid,benzoic acid, 2-amino-5-fluoro,5-faa,5-fluoro-2-aminobenzoic acid,4own,5rg,pubchem1322,5-fluoroanthanilic acid,acmc-209jyo PubChem CID: 101412 ChEBI: CHEBI:78042 IUPAC Name: 2-amino-5-fluorobenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)N
| PubChem CID | 101412 |
|---|---|
| CAS | 446-08-2 |
| Molecular Weight (g/mol) | 155.128 |
| ChEBI | CHEBI:78042 |
| MDL Number | MFCD00055566 |
| SMILES | C1=CC(=C(C=C1F)C(=O)O)N |
| Synonym | 5-fluoroanthranilic acid,2-amino-5-fluoro-benzoic acid,benzoic acid, 2-amino-5-fluoro,5-faa,5-fluoro-2-aminobenzoic acid,4own,5rg,pubchem1322,5-fluoroanthanilic acid,acmc-209jyo |
| IUPAC Name | 2-amino-5-fluorobenzoic acid |
| InChI Key | FPQMGQZTBWIHDN-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
1,2-Dibromobenzene, 98%
CAS: 583-53-9 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.906 MDL Number: MFCD00000057 InChI Key: WQONPSCCEXUXTQ-UHFFFAOYSA-N Synonym: o-dibromobenzene,dibromobenzene,benzene, 1,2-dibromo,ortho-dibromobenzene,benzene, o-dibromo,benzene, dibromo,unii-52k9w7u6eh,dibromobenzene mixed isomers,1,2 dibromobenzene,1,6-dibromobenzene PubChem CID: 11414 ChEBI: CHEBI:37152 IUPAC Name: 1,2-dibromobenzene SMILES: C1=CC=C(C(=C1)Br)Br
| PubChem CID | 11414 |
|---|---|
| CAS | 583-53-9 |
| Molecular Weight (g/mol) | 235.906 |
| ChEBI | CHEBI:37152 |
| MDL Number | MFCD00000057 |
| SMILES | C1=CC=C(C(=C1)Br)Br |
| Synonym | o-dibromobenzene,dibromobenzene,benzene, 1,2-dibromo,ortho-dibromobenzene,benzene, o-dibromo,benzene, dibromo,unii-52k9w7u6eh,dibromobenzene mixed isomers,1,2 dibromobenzene,1,6-dibromobenzene |
| IUPAC Name | 1,2-dibromobenzene |
| InChI Key | WQONPSCCEXUXTQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2 |
Tris(2-methoxyphenyl)phosphine, 98%
CAS: 4731-65-1 Molecular Formula: C21H21O3P Molecular Weight (g/mol): 352.37 MDL Number: MFCD00014892 InChI Key: IIOSDXGZLBPOHD-UHFFFAOYSA-N Synonym: tris 2-methoxyphenyl phosphine,tris o-methoxyphenyl phosphine,tris 2-methoxyphenyl phosphane,phosphine, tris methoxyphenyl,tris-2-methoxyphenyl-phosphine,tris o-anisyl phosphine,tri-2-methoxyphenyl phosphine,pubchem19707,tri 2-methoxyphenyl phosphine,ksc286k3b PubChem CID: 78464 IUPAC Name: tris(2-methoxyphenyl)phosphane SMILES: COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC
| PubChem CID | 78464 |
|---|---|
| CAS | 4731-65-1 |
| Molecular Weight (g/mol) | 352.37 |
| MDL Number | MFCD00014892 |
| SMILES | COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC |
| Synonym | tris 2-methoxyphenyl phosphine,tris o-methoxyphenyl phosphine,tris 2-methoxyphenyl phosphane,phosphine, tris methoxyphenyl,tris-2-methoxyphenyl-phosphine,tris o-anisyl phosphine,tri-2-methoxyphenyl phosphine,pubchem19707,tri 2-methoxyphenyl phosphine,ksc286k3b |
| IUPAC Name | tris(2-methoxyphenyl)phosphane |
| InChI Key | IIOSDXGZLBPOHD-UHFFFAOYSA-N |
| Molecular Formula | C21H21O3P |
3-Methoxy-2-methylbenzoic acid, 97%
CAS: 55289-06-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD02094039 InChI Key: JPCISVSOTKMFPG-UHFFFAOYSA-N Synonym: 3-methoxy-o-toluic acid,2-methyl-m-anisic acid,3-methoxy-2-methyl-benzoic acid,3-methoxy-2-methylbenzoicacid,benzoic acid, 3-methoxy-2-methyl,2-methyl-3-methoxybenzoic acid,pubchem4976,acmc-209lm1,ksc269c9h,2-methyl-3-methoxy-benzoic acid PubChem CID: 7021483 IUPAC Name: 3-methoxy-2-methylbenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1C
| PubChem CID | 7021483 |
|---|---|
| CAS | 55289-06-0 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD02094039 |
| SMILES | COC1=CC=CC(C(O)=O)=C1C |
| Synonym | 3-methoxy-o-toluic acid,2-methyl-m-anisic acid,3-methoxy-2-methyl-benzoic acid,3-methoxy-2-methylbenzoicacid,benzoic acid, 3-methoxy-2-methyl,2-methyl-3-methoxybenzoic acid,pubchem4976,acmc-209lm1,ksc269c9h,2-methyl-3-methoxy-benzoic acid |
| IUPAC Name | 3-methoxy-2-methylbenzoic acid |
| InChI Key | JPCISVSOTKMFPG-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2,5-Difluorobenzyl bromide, 98%
CAS: 85117-99-3 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00009897 InChI Key: ONWGSWNHQZYCFK-UHFFFAOYSA-N Synonym: 2,5-difluorobenzyl bromide,2-bromomethyl-1,4-difluorobenzene,2,5-difluorobenzylbromide,alpha-bromo-2,5-difluorotoluene,benzene, 2-bromomethyl-1,4-difluoro,timtec-bb sbb006680,2-bromomethyl-1,4-difluoro-benzene,pubchem10213,2,2-difluorobenzylbromide,acmc-209q4i PubChem CID: 522830 IUPAC Name: 2-(bromomethyl)-1,4-difluorobenzene SMILES: FC1=CC=C(F)C(CBr)=C1
| PubChem CID | 522830 |
|---|---|
| CAS | 85117-99-3 |
| Molecular Weight (g/mol) | 207.02 |
| MDL Number | MFCD00009897 |
| SMILES | FC1=CC=C(F)C(CBr)=C1 |
| Synonym | 2,5-difluorobenzyl bromide,2-bromomethyl-1,4-difluorobenzene,2,5-difluorobenzylbromide,alpha-bromo-2,5-difluorotoluene,benzene, 2-bromomethyl-1,4-difluoro,timtec-bb sbb006680,2-bromomethyl-1,4-difluoro-benzene,pubchem10213,2,2-difluorobenzylbromide,acmc-209q4i |
| IUPAC Name | 2-(bromomethyl)-1,4-difluorobenzene |
| InChI Key | ONWGSWNHQZYCFK-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2 |
3-Phenoxybenzylamine hydrochloride, 97%, Thermo Scientific™
CAS: 376637-85-3 Molecular Formula: C13H14ClNO Molecular Weight (g/mol): 235.711 MDL Number: MFCD07781045 InChI Key: WMFHUUKYIUOHRA-UHFFFAOYSA-N Synonym: 3-phenoxybenzylamine hydrochloride,3-phenoxyphenyl methylamine hydrochloride,3-phenoxy-benzylamine hydrochloride,3-phenoxyphenyl methylamine hcl,3-phenoxyphenyl methanamine hydrochloride,3-phenoxybenzyl amine hydrochloride,1-3-phenoxyphenyl methanamine hydrochloride,3-phenoxyphenyl methylamine, chloride,1-3-phenoxyphenyl methanamine-hydrogen chloride 1/1 PubChem CID: 17749849 IUPAC Name: (3-phenoxyphenyl)methanamine;hydrochloride SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CN.Cl
| PubChem CID | 17749849 |
|---|---|
| CAS | 376637-85-3 |
| Molecular Weight (g/mol) | 235.711 |
| MDL Number | MFCD07781045 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CN.Cl |
| Synonym | 3-phenoxybenzylamine hydrochloride,3-phenoxyphenyl methylamine hydrochloride,3-phenoxy-benzylamine hydrochloride,3-phenoxyphenyl methylamine hcl,3-phenoxyphenyl methanamine hydrochloride,3-phenoxybenzyl amine hydrochloride,1-3-phenoxyphenyl methanamine hydrochloride,3-phenoxyphenyl methylamine, chloride,1-3-phenoxyphenyl methanamine-hydrogen chloride 1/1 |
| IUPAC Name | (3-phenoxyphenyl)methanamine;hydrochloride |
| InChI Key | WMFHUUKYIUOHRA-UHFFFAOYSA-N |
| Molecular Formula | C13H14ClNO |
(S)-(-)-1-Phenylpropyl isocyanate, 95%
CAS: 164033-12-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD05664090 InChI Key: XGPXXSJFZSZULR-JTQLQIEISA-N Synonym: s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl PubChem CID: 7018275 IUPAC Name: [(1S)-1-isocyanatopropyl]benzene SMILES: CCC(C1=CC=CC=C1)N=C=O
| PubChem CID | 7018275 |
|---|---|
| CAS | 164033-12-9 |
| Molecular Weight (g/mol) | 161.204 |
| MDL Number | MFCD05664090 |
| SMILES | CCC(C1=CC=CC=C1)N=C=O |
| Synonym | s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl |
| IUPAC Name | [(1S)-1-isocyanatopropyl]benzene |
| InChI Key | XGPXXSJFZSZULR-JTQLQIEISA-N |
| Molecular Formula | C10H11NO |