Benzenoids
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3-[3-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride, 95%, Thermo Scientific™
CAS: 926921-62-2 Molecular Formula: C12H19Cl2NO Molecular Weight (g/mol): 264.19 MDL Number: MFCD09702394 InChI Key: MCRYCZSEVCPYAW-UHFFFAOYSA-N Synonym: 3-3-chloromethyl phenoxy-n,n-dimethylpropylamine hydrochloride,3-3-dimethylamino propoxy benzyl chloride hydrochloride,3-3-chloromethyl phenoxy propyl dimethylamine hydrochloride,3-3-chloromethyl phenoxy propyl dimethylamine, chloride,3-3-chloromethyl phenoxy-n,n-dimethylpropan-1-amine hydrochloride,1-propanamine,3-3-chloromethyl phenoxy-n,n-dimethyl-,hydrochloride 1:1,3-3-chloromethyl phenoxy-n,n-dimethylpropan-1-amine-hydrogen chloride 1/1 PubChem CID: 24229607 SMILES: Cl.CN(C)CCCOC1=CC=CC(CCl)=C1
| PubChem CID | 24229607 |
|---|---|
| CAS | 926921-62-2 |
| Molecular Weight (g/mol) | 264.19 |
| MDL Number | MFCD09702394 |
| SMILES | Cl.CN(C)CCCOC1=CC=CC(CCl)=C1 |
| Synonym | 3-3-chloromethyl phenoxy-n,n-dimethylpropylamine hydrochloride,3-3-dimethylamino propoxy benzyl chloride hydrochloride,3-3-chloromethyl phenoxy propyl dimethylamine hydrochloride,3-3-chloromethyl phenoxy propyl dimethylamine, chloride,3-3-chloromethyl phenoxy-n,n-dimethylpropan-1-amine hydrochloride,1-propanamine,3-3-chloromethyl phenoxy-n,n-dimethyl-,hydrochloride 1:1,3-3-chloromethyl phenoxy-n,n-dimethylpropan-1-amine-hydrogen chloride 1/1 |
| InChI Key | MCRYCZSEVCPYAW-UHFFFAOYSA-N |
| Molecular Formula | C12H19Cl2NO |
2-Bromobenzyl chloride, 97%
CAS: 578-51-8 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00040863 InChI Key: DDVSFIUKWUTKES-UHFFFAOYSA-N Synonym: 1-bromo-2-chloromethyl benzene,2-bromobenzyl chloride,o-bromobenzyl chloride,benzene,1-bromo-2-chloromethyl,benzene, 1-bromo-2-chloromethyl,o-brombenzylchlorid,acmc-1aunq,3-bromo-2-chloromethylbenzene,1-bromo-2-chloromethyl benzene # PubChem CID: 521816 IUPAC Name: 1-bromo-2-(chloromethyl)benzene SMILES: C1=CC=C(C(=C1)CCl)Br
| PubChem CID | 521816 |
|---|---|
| CAS | 578-51-8 |
| Molecular Weight (g/mol) | 205.479 |
| MDL Number | MFCD00040863 |
| SMILES | C1=CC=C(C(=C1)CCl)Br |
| Synonym | 1-bromo-2-chloromethyl benzene,2-bromobenzyl chloride,o-bromobenzyl chloride,benzene,1-bromo-2-chloromethyl,benzene, 1-bromo-2-chloromethyl,o-brombenzylchlorid,acmc-1aunq,3-bromo-2-chloromethylbenzene,1-bromo-2-chloromethyl benzene # |
| IUPAC Name | 1-bromo-2-(chloromethyl)benzene |
| InChI Key | DDVSFIUKWUTKES-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
4-Bromo-3-hydroxybenzyl alcohol, 95%, Thermo Scientific Chemicals
CAS: 2737-19-1 Molecular Formula: C7H7BrO2 Molecular Weight (g/mol): 203.04 MDL Number: MFCD14705103 InChI Key: JYYCVESONPFMEW-UHFFFAOYSA-N PubChem CID: 13551344 IUPAC Name: 2-bromo-5-(hydroxymethyl)phenol SMILES: OCC1=CC(O)=C(Br)C=C1
| PubChem CID | 13551344 |
|---|---|
| CAS | 2737-19-1 |
| Molecular Weight (g/mol) | 203.04 |
| MDL Number | MFCD14705103 |
| SMILES | OCC1=CC(O)=C(Br)C=C1 |
| IUPAC Name | 2-bromo-5-(hydroxymethyl)phenol |
| InChI Key | JYYCVESONPFMEW-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO2 |
2-(3-Bromo-4-fluorophenyl)acetonitrile, 96%
CAS: 501420-63-9 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.037 MDL Number: MFCD08458154 InChI Key: ORKCKZRBHXMWBO-UHFFFAOYSA-N Synonym: 2-3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluorophenylacetonitrile,3-bromo-4-fluorobenzyl cyanide,benzeneacetonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluoro benzyl cyanide,3-bromo-4-fluorobenzeneacetonitrile,2-3-bromo-4-fluorophenyl ethanenitrile PubChem CID: 20113897 IUPAC Name: 2-(3-bromo-4-fluorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1CC#N)Br)F
| PubChem CID | 20113897 |
|---|---|
| CAS | 501420-63-9 |
| Molecular Weight (g/mol) | 214.037 |
| MDL Number | MFCD08458154 |
| SMILES | C1=CC(=C(C=C1CC#N)Br)F |
| Synonym | 2-3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluorophenylacetonitrile,3-bromo-4-fluorobenzyl cyanide,benzeneacetonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluoro benzyl cyanide,3-bromo-4-fluorobenzeneacetonitrile,2-3-bromo-4-fluorophenyl ethanenitrile |
| IUPAC Name | 2-(3-bromo-4-fluorophenyl)acetonitrile |
| InChI Key | ORKCKZRBHXMWBO-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrFN |
Liquefied Phenol, USP, 89%, Spectrum™ Chemical
CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 MDL Number: MFCD00002143 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N IUPAC Name: phenol SMILES: OC1=CC=CC=C1
| CAS | 108-95-2 |
|---|---|
| Molecular Weight (g/mol) | 94.11 |
| MDL Number | MFCD00002143 |
| SMILES | OC1=CC=CC=C1 |
| IUPAC Name | phenol |
| InChI Key | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
| Molecular Formula | C6H6O |
Homophthalonitrile, tech. 80%
CAS: 3759-28-2 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 MDL Number: MFCD00001895 InChI Key: GKHSEDFDYXZGCG-UHFFFAOYSA-N Synonym: 2-cyanomethyl benzonitrile,homophthalonitrile,2-cyanobenzyl cyanide,2-cyanophenylacetonitrile,alpha-cyano-o-tolunitrile,o-cyanobenzyl cyanide,benzeneacetonitrile, 2-cyano,2-cyanobenzeneacetonitrile,o-cyanophenyl acetonitrile,o-tolunitrile, alpha-cyano PubChem CID: 77368 IUPAC Name: 2-(cyanomethyl)benzonitrile SMILES: N#CCC1=CC=CC=C1C#N
| PubChem CID | 77368 |
|---|---|
| CAS | 3759-28-2 |
| Molecular Weight (g/mol) | 142.16 |
| MDL Number | MFCD00001895 |
| SMILES | N#CCC1=CC=CC=C1C#N |
| Synonym | 2-cyanomethyl benzonitrile,homophthalonitrile,2-cyanobenzyl cyanide,2-cyanophenylacetonitrile,alpha-cyano-o-tolunitrile,o-cyanobenzyl cyanide,benzeneacetonitrile, 2-cyano,2-cyanobenzeneacetonitrile,o-cyanophenyl acetonitrile,o-tolunitrile, alpha-cyano |
| IUPAC Name | 2-(cyanomethyl)benzonitrile |
| InChI Key | GKHSEDFDYXZGCG-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2 |
{3-[3-(Dimethylamino)propoxy]phenyl}methanol, 97%, Thermo Scientific™
CAS: 912569-56-3 Molecular Formula: C12H19NO2 Molecular Weight (g/mol): 209.289 MDL Number: MFCD09064989 InChI Key: BABQTNDHVRVEJD-UHFFFAOYSA-N Synonym: 3-3-dimethylamino propoxy phenyl methanol,benzenemethanol, 3-3-dimethylamino propoxy,3-3-dimethylamino-propoxy-phenyl-methanol,3-3-dimethylamino propoxy phenyl methan-1-ol PubChem CID: 24229604 IUPAC Name: [3-[3-(dimethylamino)propoxy]phenyl]methanol SMILES: CN(C)CCCOC1=CC=CC(=C1)CO
| PubChem CID | 24229604 |
|---|---|
| CAS | 912569-56-3 |
| Molecular Weight (g/mol) | 209.289 |
| MDL Number | MFCD09064989 |
| SMILES | CN(C)CCCOC1=CC=CC(=C1)CO |
| Synonym | 3-3-dimethylamino propoxy phenyl methanol,benzenemethanol, 3-3-dimethylamino propoxy,3-3-dimethylamino-propoxy-phenyl-methanol,3-3-dimethylamino propoxy phenyl methan-1-ol |
| IUPAC Name | [3-[3-(dimethylamino)propoxy]phenyl]methanol |
| InChI Key | BABQTNDHVRVEJD-UHFFFAOYSA-N |
| Molecular Formula | C12H19NO2 |
4-Aminophenylacetonitrile, 99%
CAS: 3544-25-0 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00007912 InChI Key: YCWRFIYBUQBHJI-UHFFFAOYSA-N Synonym: 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl PubChem CID: 77000 IUPAC Name: 2-(4-aminophenyl)acetonitrile SMILES: NC1=CC=C(CC#N)C=C1
| PubChem CID | 77000 |
|---|---|
| CAS | 3544-25-0 |
| Molecular Weight (g/mol) | 132.17 |
| MDL Number | MFCD00007912 |
| SMILES | NC1=CC=C(CC#N)C=C1 |
| Synonym | 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl |
| IUPAC Name | 2-(4-aminophenyl)acetonitrile |
| InChI Key | YCWRFIYBUQBHJI-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2 |
(3-Thien-2-ylphenyl)methanol, ≥97%, Thermo Scientific™
CAS: 103669-00-7 Molecular Formula: C11H10OS Molecular Weight (g/mol): 190.26 MDL Number: MFCD06203108 InChI Key: SATFADRDDGOLJP-UHFFFAOYSA-N Synonym: 3-thien-2-ylphenyl methanol,3-2-thienyl benzyl alcohol,3-thiophen-2-yl phenyl methanol,3-2-thienyl phenyl methanol,benzenemethanol,3-2-thienyl,acmc-1c9kv,3-thiophen-2-ylphenyl methanol,3-thiophen-2-yl benzyl alcohol,3-2-thienyl phenyl methan-1-ol PubChem CID: 7537586 SMILES: OCC1=CC=CC(=C1)C1=CC=CS1
| PubChem CID | 7537586 |
|---|---|
| CAS | 103669-00-7 |
| Molecular Weight (g/mol) | 190.26 |
| MDL Number | MFCD06203108 |
| SMILES | OCC1=CC=CC(=C1)C1=CC=CS1 |
| Synonym | 3-thien-2-ylphenyl methanol,3-2-thienyl benzyl alcohol,3-thiophen-2-yl phenyl methanol,3-2-thienyl phenyl methanol,benzenemethanol,3-2-thienyl,acmc-1c9kv,3-thiophen-2-ylphenyl methanol,3-thiophen-2-yl benzyl alcohol,3-2-thienyl phenyl methan-1-ol |
| InChI Key | SATFADRDDGOLJP-UHFFFAOYSA-N |
| Molecular Formula | C11H10OS |
3-Bromo-2-fluorobenzyl bromide, 97%, Thermo Scientific Chemicals
CAS: 149947-16-0 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.923 MDL Number: MFCD09842442 InChI Key: MGVHFTWDCYIBDO-UHFFFAOYSA-N PubChem CID: 18989440 IUPAC Name: 1-bromo-3-(bromomethyl)-2-fluorobenzene SMILES: C1=CC(=C(C(=C1)Br)F)CBr
| PubChem CID | 18989440 |
|---|---|
| CAS | 149947-16-0 |
| Molecular Weight (g/mol) | 267.923 |
| MDL Number | MFCD09842442 |
| SMILES | C1=CC(=C(C(=C1)Br)F)CBr |
| IUPAC Name | 1-bromo-3-(bromomethyl)-2-fluorobenzene |
| InChI Key | MGVHFTWDCYIBDO-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br2F |
Triethyl orthobenzoate, 97%
CAS: 1663-61-2 Molecular Formula: C13H20O3 Molecular Weight (g/mol): 224.3 MDL Number: MFCD00009222 InChI Key: BQFPCTXLBRVFJL-UHFFFAOYSA-N Synonym: triethoxymethyl benzene,triethyl orthobenzoate,ethyl orthobenzoate,benzene, triethoxymethyl,triethylorthobenzoate,orthobenzoic acid, triethyl ester,orthobenzoic acid triethyl ester,triethoxymethyl benzol,triethoxyphenylmethane PubChem CID: 74268 IUPAC Name: triethoxymethylbenzene SMILES: CCOC(C1=CC=CC=C1)(OCC)OCC
| PubChem CID | 74268 |
|---|---|
| CAS | 1663-61-2 |
| Molecular Weight (g/mol) | 224.3 |
| MDL Number | MFCD00009222 |
| SMILES | CCOC(C1=CC=CC=C1)(OCC)OCC |
| Synonym | triethoxymethyl benzene,triethyl orthobenzoate,ethyl orthobenzoate,benzene, triethoxymethyl,triethylorthobenzoate,orthobenzoic acid, triethyl ester,orthobenzoic acid triethyl ester,triethoxymethyl benzol,triethoxyphenylmethane |
| IUPAC Name | triethoxymethylbenzene |
| InChI Key | BQFPCTXLBRVFJL-UHFFFAOYSA-N |
| Molecular Formula | C13H20O3 |
[4-(1,3-Thiazol-2-yl)phenyl]methanol, 97%, Thermo Scientific™
CAS: 454678-91-2 Molecular Formula: C10H9NOS Molecular Weight (g/mol): 191.248 MDL Number: MFCD09064950 InChI Key: QOLUYHARONOGNO-UHFFFAOYSA-N Synonym: 4-1,3-thiazol-2-yl phenyl methanol,benzenemethanol,4-2-thiazolyl,4-thiazol-2-yl benzyl alcohol,4-thiazol-2-yl phenyl methanol,4-1,3-thiazol-2-yl benzyl alcohol,4-thiazol-2-yl benzylalcohol,4-1,3-thiazol-2-yl phenyl methan-1-ol PubChem CID: 24229487 IUPAC Name: [4-(1,3-thiazol-2-yl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)C2=NC=CS2
| PubChem CID | 24229487 |
|---|---|
| CAS | 454678-91-2 |
| Molecular Weight (g/mol) | 191.248 |
| MDL Number | MFCD09064950 |
| SMILES | C1=CC(=CC=C1CO)C2=NC=CS2 |
| Synonym | 4-1,3-thiazol-2-yl phenyl methanol,benzenemethanol,4-2-thiazolyl,4-thiazol-2-yl benzyl alcohol,4-thiazol-2-yl phenyl methanol,4-1,3-thiazol-2-yl benzyl alcohol,4-thiazol-2-yl benzylalcohol,4-1,3-thiazol-2-yl phenyl methan-1-ol |
| IUPAC Name | [4-(1,3-thiazol-2-yl)phenyl]methanol |
| InChI Key | QOLUYHARONOGNO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NOS |
2-Nitrobenzyl bromide, 98+%
CAS: 3958-60-9 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007184 InChI Key: HXBMIQJOSHZCFX-UHFFFAOYSA-N Synonym: 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide PubChem CID: 77569 IUPAC Name: 1-(bromomethyl)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)CBr)[N+](=O)[O-]
| PubChem CID | 77569 |
|---|---|
| CAS | 3958-60-9 |
| Molecular Weight (g/mol) | 216.034 |
| MDL Number | MFCD00007184 |
| SMILES | C1=CC=C(C(=C1)CBr)[N+](=O)[O-] |
| Synonym | 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide |
| IUPAC Name | 1-(bromomethyl)-2-nitrobenzene |
| InChI Key | HXBMIQJOSHZCFX-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
Benzyl Alcohol, NF, 98-100.5%, Spectrum™ Chemical
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| CAS | 100-51-6 |
|---|---|
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
3-Bromo-4-fluorobenzyl bromide, 97%
CAS: 78239-71-1 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.92 MDL Number: MFCD09037367 InChI Key: ZRWSODQPUJMFRV-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobenzyl bromide,2-bromo-4-bromomethyl-1-fluorobenzene,3-bromo-4-fluorobenzylbromide,benzene, 2-bromo-4-bromomethyl-1-fluoro,2-bromanyl-4-bromomethyl-1-fluoranyl-benzene,pubchem24015,acmc-209pdt,3-bromo-4-fluoro-benzyl bromide,2-bromo-4-bromomethyl-1-fluoro-benzene,benzene,2-bromo-4-bromomethyl-1-fluoro PubChem CID: 12922710 IUPAC Name: 2-bromo-4-(bromomethyl)-1-fluorobenzene SMILES: FC1=C(Br)C=C(CBr)C=C1
| PubChem CID | 12922710 |
|---|---|
| CAS | 78239-71-1 |
| Molecular Weight (g/mol) | 267.92 |
| MDL Number | MFCD09037367 |
| SMILES | FC1=C(Br)C=C(CBr)C=C1 |
| Synonym | 3-bromo-4-fluorobenzyl bromide,2-bromo-4-bromomethyl-1-fluorobenzene,3-bromo-4-fluorobenzylbromide,benzene, 2-bromo-4-bromomethyl-1-fluoro,2-bromanyl-4-bromomethyl-1-fluoranyl-benzene,pubchem24015,acmc-209pdt,3-bromo-4-fluoro-benzyl bromide,2-bromo-4-bromomethyl-1-fluoro-benzene,benzene,2-bromo-4-bromomethyl-1-fluoro |
| IUPAC Name | 2-bromo-4-(bromomethyl)-1-fluorobenzene |
| InChI Key | ZRWSODQPUJMFRV-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br2F |