Benzenoids
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Fullerene powder, 98+% C{70}
CAS: 115383-22-7 Molecular Formula: C70 Molecular Weight (g/mol): 840.77 MDL Number: MFCD00282904 InChI Key: ATLMFJTZZPOKLC-UHFFFAOYSA-N Synonym: fullerene,fullerene 70,rugbyballene,carbon,70-d5h fullerene,buckminsterfullerene,5,6 fullerene-c70-d5h 6,c70-d5h 6 5,6 fullerene,fullerene powder, c 250mg PubChem CID: 16131935 ChEBI: CHEBI:33195 IUPAC Name: (C\{70}-D\{5h(6)})[5,6]fullerene SMILES: C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27
| PubChem CID | 16131935 |
|---|---|
| CAS | 115383-22-7 |
| Molecular Weight (g/mol) | 840.77 |
| ChEBI | CHEBI:33195 |
| MDL Number | MFCD00282904 |
| SMILES | C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27 |
| Synonym | fullerene,fullerene 70,rugbyballene,carbon,70-d5h fullerene,buckminsterfullerene,5,6 fullerene-c70-d5h 6,c70-d5h 6 5,6 fullerene,fullerene powder, c 250mg |
| IUPAC Name | (C\{70}-D\{5h(6)})[5,6]fullerene |
| InChI Key | ATLMFJTZZPOKLC-UHFFFAOYSA-N |
| Molecular Formula | C70 |
2-Aminobenzyl alcohol, 98%
CAS: 5344-90-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007749 InChI Key: VYFOAVADNIHPTR-UHFFFAOYSA-N Synonym: 2-aminobenzyl alcohol,2-aminophenyl methanol,2-aminobenzylalcohol,o-aminobenzyl alcohol,2-aminobenzenemethanol,benzenemethanol, 2-amino,o-aminobenzylic alcohol,o-hydroxymethyl aniline,benzyl alcohol, o-amino,2-hydroxymethylaniline PubChem CID: 21439 IUPAC Name: (2-aminophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)N
| PubChem CID | 21439 |
|---|---|
| CAS | 5344-90-1 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD00007749 |
| SMILES | C1=CC=C(C(=C1)CO)N |
| Synonym | 2-aminobenzyl alcohol,2-aminophenyl methanol,2-aminobenzylalcohol,o-aminobenzyl alcohol,2-aminobenzenemethanol,benzenemethanol, 2-amino,o-aminobenzylic alcohol,o-hydroxymethyl aniline,benzyl alcohol, o-amino,2-hydroxymethylaniline |
| IUPAC Name | (2-aminophenyl)methanol |
| InChI Key | VYFOAVADNIHPTR-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Dibenzyl ether, 98+%
CAS: 103-50-4 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.265 MDL Number: MFCD00004780 InChI Key: MHDVGSVTJDSBDK-UHFFFAOYSA-N Synonym: dibenzyl ether,benzyl ether,benzyl oxide,dibenzylether,oxybis methylene dibenzene,plastikator ba,ba plasticizer,benzylether,ether, dibenzyl,plasticator ba PubChem CID: 7657 ChEBI: CHEBI:87411 IUPAC Name: phenylmethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCC2=CC=CC=C2
| PubChem CID | 7657 |
|---|---|
| CAS | 103-50-4 |
| Molecular Weight (g/mol) | 198.265 |
| ChEBI | CHEBI:87411 |
| MDL Number | MFCD00004780 |
| SMILES | C1=CC=C(C=C1)COCC2=CC=CC=C2 |
| Synonym | dibenzyl ether,benzyl ether,benzyl oxide,dibenzylether,oxybis methylene dibenzene,plastikator ba,ba plasticizer,benzylether,ether, dibenzyl,plasticator ba |
| IUPAC Name | phenylmethoxymethylbenzene |
| InChI Key | MHDVGSVTJDSBDK-UHFFFAOYSA-N |
| Molecular Formula | C14H14O |
alpha-Bromo-p-toluic acid, 97%
CAS: 6232-88-8 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00002567 InChI Key: CQQSQBRPAJSTFB-UHFFFAOYSA-N Synonym: 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid PubChem CID: 22599 IUPAC Name: 4-(bromomethyl)benzoic acid SMILES: C1=CC(=CC=C1CBr)C(=O)O
| PubChem CID | 22599 |
|---|---|
| CAS | 6232-88-8 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00002567 |
| SMILES | C1=CC(=CC=C1CBr)C(=O)O |
| Synonym | 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid |
| IUPAC Name | 4-(bromomethyl)benzoic acid |
| InChI Key | CQQSQBRPAJSTFB-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
4-Hydroxymethylbenzoic acid, 98%
CAS: 3006-96-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00017598 InChI Key: WWYFPDXEIFBNKE-UHFFFAOYSA-N Synonym: 4-hydroxymethyl benzoic acid,4-hydroxythylbenzoic acid,unii-9z28l8sthd,hmba linker,4-hydroxymethyl-benzoic acid,benzoic acid, 4-hydroxymethyl,p-hydroxymethyl benzoic acid,4-hydroxymethyl benzoicacid,9z28l8sthd PubChem CID: 76360 IUPAC Name: 4-(hydroxymethyl)benzoic acid SMILES: OCC1=CC=C(C=C1)C(O)=O
| PubChem CID | 76360 |
|---|---|
| CAS | 3006-96-0 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00017598 |
| SMILES | OCC1=CC=C(C=C1)C(O)=O |
| Synonym | 4-hydroxymethyl benzoic acid,4-hydroxythylbenzoic acid,unii-9z28l8sthd,hmba linker,4-hydroxymethyl-benzoic acid,benzoic acid, 4-hydroxymethyl,p-hydroxymethyl benzoic acid,4-hydroxymethyl benzoicacid,9z28l8sthd |
| IUPAC Name | 4-(hydroxymethyl)benzoic acid |
| InChI Key | WWYFPDXEIFBNKE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Ethylbenzyl alcohol, 99%
CAS: 768-59-2 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004666 InChI Key: YSLBFFIVJGJBSA-UHFFFAOYSA-N PubChem CID: 13034 IUPAC Name: (4-ethylphenyl)methanol SMILES: CCC1=CC=C(C=C1)CO
| PubChem CID | 13034 |
|---|---|
| CAS | 768-59-2 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00004666 |
| SMILES | CCC1=CC=C(C=C1)CO |
| IUPAC Name | (4-ethylphenyl)methanol |
| InChI Key | YSLBFFIVJGJBSA-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
4-Chlorobenzyl alcohol, 99%
CAS: 873-76-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 MDL Number: MFCD00004652 InChI Key: PTHGDVCPCZKZKR-UHFFFAOYSA-N Synonym: 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 PubChem CID: 13397 IUPAC Name: (4-chlorophenyl)methanol SMILES: C1=CC(=CC=C1CO)Cl
| PubChem CID | 13397 |
|---|---|
| CAS | 873-76-7 |
| Molecular Weight (g/mol) | 142.58 |
| MDL Number | MFCD00004652 |
| SMILES | C1=CC(=CC=C1CO)Cl |
| Synonym | 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 |
| IUPAC Name | (4-chlorophenyl)methanol |
| InChI Key | PTHGDVCPCZKZKR-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClO |
[2-(4-Methylperhydro-1,4-diazepin-1-yl)phenyl]methanol, ≥97%, Thermo Scientific™
CAS: 915707-55-0 Molecular Formula: C13H20N2O Molecular Weight (g/mol): 220.32 MDL Number: MFCD09065000 InChI Key: IYBDLMFCIKDQDV-UHFFFAOYSA-N Synonym: 2-4-methylperhydro-1,4-diazepin-1-yl phenyl methanol,2-4-methyl-1,4-diazepan-1-yl phenyl methanol,2-4-methylhomopiperazin-1-yl benzyl alcohol,2-4-methyl-1,4-diazaperhydroepinyl phenyl methan-1-ol PubChem CID: 24229618 IUPAC Name: [2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanol SMILES: CN1CCCN(CC1)C1=CC=CC=C1CO
| PubChem CID | 24229618 |
|---|---|
| CAS | 915707-55-0 |
| Molecular Weight (g/mol) | 220.32 |
| MDL Number | MFCD09065000 |
| SMILES | CN1CCCN(CC1)C1=CC=CC=C1CO |
| Synonym | 2-4-methylperhydro-1,4-diazepin-1-yl phenyl methanol,2-4-methyl-1,4-diazepan-1-yl phenyl methanol,2-4-methylhomopiperazin-1-yl benzyl alcohol,2-4-methyl-1,4-diazaperhydroepinyl phenyl methan-1-ol |
| IUPAC Name | [2-(4-methyl-1,4-diazepan-1-yl)phenyl]methanol |
| InChI Key | IYBDLMFCIKDQDV-UHFFFAOYSA-N |
| Molecular Formula | C13H20N2O |
4-Nitrobenzyl alcohol, 99%
CAS: 619-73-8 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007376 InChI Key: JKTYGPATCNUWKN-UHFFFAOYSA-N Synonym: 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m PubChem CID: 69275 ChEBI: CHEBI:41214 IUPAC Name: (4-nitrophenyl)methanol SMILES: OCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 69275 |
|---|---|
| CAS | 619-73-8 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:41214 |
| MDL Number | MFCD00007376 |
| SMILES | OCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m |
| IUPAC Name | (4-nitrophenyl)methanol |
| InChI Key | JKTYGPATCNUWKN-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
Dimethyl aminoterephthalate, 99%
CAS: 5372-81-6 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.2 MDL Number: MFCD00008427 InChI Key: DSSKDXUDARIMTR-UHFFFAOYSA-N Synonym: dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester PubChem CID: 79336 IUPAC Name: dimethyl 2-aminobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)N
| PubChem CID | 79336 |
|---|---|
| CAS | 5372-81-6 |
| Molecular Weight (g/mol) | 209.2 |
| MDL Number | MFCD00008427 |
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)N |
| Synonym | dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester |
| IUPAC Name | dimethyl 2-aminobenzene-1,4-dicarboxylate |
| InChI Key | DSSKDXUDARIMTR-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO4 |
Diethyl Terephthalate, Spectrum™ Chemical
CAS: 636-09-9 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 InChI Key: ONIHPYYWNBVMID-UHFFFAOYSA-N IUPAC Name: 1,4-diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
| CAS | 636-09-9 |
|---|---|
| Molecular Weight (g/mol) | 222.24 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=O)OCC |
| IUPAC Name | 1,4-diethyl benzene-1,4-dicarboxylate |
| InChI Key | ONIHPYYWNBVMID-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
Diethyl terephthalate, 98%
CAS: 636-09-9 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00039891 InChI Key: ONIHPYYWNBVMID-UHFFFAOYSA-N Synonym: diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester PubChem CID: 12483 IUPAC Name: diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
| PubChem CID | 12483 |
|---|---|
| CAS | 636-09-9 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00039891 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=O)OCC |
| Synonym | diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester |
| IUPAC Name | diethyl benzene-1,4-dicarboxylate |
| InChI Key | ONIHPYYWNBVMID-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
2-Nitroterephthalic acid 4-methyl ester, 97%
CAS: 55737-66-1 Molecular Formula: C9H7NO6 Molecular Weight (g/mol): 225.156 MDL Number: MFCD06203344 InChI Key: VULISSQANNKDCH-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester PubChem CID: 21906474 SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 21906474 |
|---|---|
| CAS | 55737-66-1 |
| Molecular Weight (g/mol) | 225.156 |
| MDL Number | MFCD06203344 |
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 4-methoxycarbonyl-2-nitrobenzoic acid,2-nitro-4-methoxycarbonyl benzoic acid,2-nitroterephthalic acid 4-methyl ester,acmc-1awlg,methyl 4-carboxy-3-nitrobenzoate,4-carbomethoxy-2-nitrobenzoic acid,4-methoxycarbonyl-2-nitrobenzoicacid,2-nitro-terephthalic acid 4-methyl ester |
| InChI Key | VULISSQANNKDCH-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO6 |
mono-Methyl isophthalate, 97%
CAS: 1877-71-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00029972 InChI Key: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC Name: 3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O
| PubChem CID | 601880 |
|---|---|
| CAS | 1877-71-0 |
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00029972 |
| SMILES | COC(=O)C1=CC=CC(=C1)C(=O)O |
| Synonym | 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate |
| IUPAC Name | 3-methoxycarbonylbenzoic acid |
| InChI Key | WMZNGTSLFSJHMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |