Benzenoids
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3-Fluoro-4-nitrophenol, 99%, Thermo Scientific Chemicals
CAS: 394-41-2 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.1 MDL Number: MFCD00041251 InChI Key: CSSGKHVRDGATJL-UHFFFAOYSA-N Synonym: phenol, 3-fluoro-4-nitro,3-fluoro-4-nitro-phenol,2-fluoro-4-hydroxynitrobenzene,pubchem2101,3-fluoro4-nitrophenol,4-nitro-3-fluorophenol,5-fluoro-4-nitrophenol,acmc-1afpw,3-fluoro-4-nitro phenol,ksc490k8p PubChem CID: 520948 IUPAC Name: 3-fluoro-4-nitrophenol SMILES: C1=CC(=C(C=C1O)F)[N+](=O)[O-]
| PubChem CID | 520948 |
|---|---|
| CAS | 394-41-2 |
| Molecular Weight (g/mol) | 157.1 |
| MDL Number | MFCD00041251 |
| SMILES | C1=CC(=C(C=C1O)F)[N+](=O)[O-] |
| Synonym | phenol, 3-fluoro-4-nitro,3-fluoro-4-nitro-phenol,2-fluoro-4-hydroxynitrobenzene,pubchem2101,3-fluoro4-nitrophenol,4-nitro-3-fluorophenol,5-fluoro-4-nitrophenol,acmc-1afpw,3-fluoro-4-nitro phenol,ksc490k8p |
| IUPAC Name | 3-fluoro-4-nitrophenol |
| InChI Key | CSSGKHVRDGATJL-UHFFFAOYSA-N |
| Molecular Formula | C6H4FNO3 |
trans-beta-Methylstyrene, 97%, stabilized
CAS: 873-66-5 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00009280 InChI Key: QROGIFZRVHSFLM-QHHAFSJGSA-N Synonym: beta-methylstyrene,trans-beta-methylstyrene,1-phenylpropene,isoallylbenzene,propenylbenzene,trans-1-phenyl-1-propene,1-propenylbenzene,trans-propenylbenzene,1-phenyl-1-propene,benzene, 1-propenyl PubChem CID: 252325 IUPAC Name: [(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=CC=C1
| PubChem CID | 252325 |
|---|---|
| CAS | 873-66-5 |
| Molecular Weight (g/mol) | 118.18 |
| MDL Number | MFCD00009280 |
| SMILES | CC=CC1=CC=CC=C1 |
| Synonym | beta-methylstyrene,trans-beta-methylstyrene,1-phenylpropene,isoallylbenzene,propenylbenzene,trans-1-phenyl-1-propene,1-propenylbenzene,trans-propenylbenzene,1-phenyl-1-propene,benzene, 1-propenyl |
| IUPAC Name | [(E)-prop-1-enyl]benzene |
| InChI Key | QROGIFZRVHSFLM-QHHAFSJGSA-N |
| Molecular Formula | C9H10 |
p-Dimethylamino-Benzaldehyde, ACS, MP Biomedicals™
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
| PubChem CID | 7479 |
|---|---|
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00003381 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
2,4,6-Trimethoxytoluene, 97%
CAS: 14107-97-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008375 InChI Key: TZPKFPYZCMHDHL-UHFFFAOYSA-N PubChem CID: 84201 IUPAC Name: 1,3,5-trimethoxy-2-methylbenzene SMILES: CC1=C(C=C(C=C1OC)OC)OC
| PubChem CID | 84201 |
|---|---|
| CAS | 14107-97-2 |
| Molecular Weight (g/mol) | 182.219 |
| MDL Number | MFCD00008375 |
| SMILES | CC1=C(C=C(C=C1OC)OC)OC |
| IUPAC Name | 1,3,5-trimethoxy-2-methylbenzene |
| InChI Key | TZPKFPYZCMHDHL-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
beta,3-Dinitrostyrene, 98%
CAS: 882-26-8 Molecular Formula: C8H6N2O4 Molecular Weight (g/mol): 194.146 MDL Number: MFCD00052063 InChI Key: YOEGXQQUPVDQEE-SNAWJCMRSA-N Synonym: beta,3-dinitrostyrene,1-nitro-3-2-nitrovinyl benzene,m,.beta.-dinitrostyrene,trans-m,beta-dinitrostyrene,m-2-nitrovinyl nitrobenzene,3-nitro-b-nitrostyrene,styrene, m,beta-dinitro-, e,benzene, 1-nitro-3-2-nitroethenyl,1-nitro-2-m-nitrophenyl ethylene,1-nitro-3-e-2-nitroethenyl benzene PubChem CID: 5355017 IUPAC Name: 1-nitro-3-[(E)-2-nitroethenyl]benzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=C[N+](=O)[O-]
| PubChem CID | 5355017 |
|---|---|
| CAS | 882-26-8 |
| Molecular Weight (g/mol) | 194.146 |
| MDL Number | MFCD00052063 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=C[N+](=O)[O-] |
| Synonym | beta,3-dinitrostyrene,1-nitro-3-2-nitrovinyl benzene,m,.beta.-dinitrostyrene,trans-m,beta-dinitrostyrene,m-2-nitrovinyl nitrobenzene,3-nitro-b-nitrostyrene,styrene, m,beta-dinitro-, e,benzene, 1-nitro-3-2-nitroethenyl,1-nitro-2-m-nitrophenyl ethylene,1-nitro-3-e-2-nitroethenyl benzene |
| IUPAC Name | 1-nitro-3-[(E)-2-nitroethenyl]benzene |
| InChI Key | YOEGXQQUPVDQEE-SNAWJCMRSA-N |
| Molecular Formula | C8H6N2O4 |
Phenylpyruvic acid, sodium salt monohydrate, 98%
CAS: 122049-54-1 Molecular Formula: C9H7O3 Molecular Weight (g/mol): 163.15 MDL Number: MFCD00149109 InChI Key: BTNMPGBKDVTSJY-UHFFFAOYSA-M Synonym: sodium phenylpyruvate monohydrate,sodium 2-oxo-3-phenylpropanoate hydrate,phenylpyruvic acid sodium salt monohydrate,phenylpyruvic acid, sodium salt,sodium hydrate ?-phenylpyruvate,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,acmc-2099lh,phenylpyruvic acid sodium hydrate,beta-phenylpyruvic acid, sodium salt PubChem CID: 23666336 IUPAC Name: sodium;2-oxo-3-phenylpropanoate;hydrate SMILES: [O-]C(=O)C(=O)CC1=CC=CC=C1
| PubChem CID | 23666336 |
|---|---|
| CAS | 122049-54-1 |
| Molecular Weight (g/mol) | 163.15 |
| MDL Number | MFCD00149109 |
| SMILES | [O-]C(=O)C(=O)CC1=CC=CC=C1 |
| Synonym | sodium phenylpyruvate monohydrate,sodium 2-oxo-3-phenylpropanoate hydrate,phenylpyruvic acid sodium salt monohydrate,phenylpyruvic acid, sodium salt,sodium hydrate ?-phenylpyruvate,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,acmc-2099lh,phenylpyruvic acid sodium hydrate,beta-phenylpyruvic acid, sodium salt |
| IUPAC Name | sodium;2-oxo-3-phenylpropanoate;hydrate |
| InChI Key | BTNMPGBKDVTSJY-UHFFFAOYSA-M |
| Molecular Formula | C9H7O3 |
1-tert-Butyl 4-(pentafluorophenyl) piperidine-1,4-dicarboxylate, 97%, Thermo Scientific™
CAS: 294885-28-2 Molecular Formula: C17H18F5NO4 Molecular Weight (g/mol): 395.33 MDL Number: MFCD09879992 InChI Key: PPKHOXJANSFRFJ-UHFFFAOYSA-N Synonym: 1-tert-butyl 4-pentafluorophenyl piperidine-1,4-dicarboxylate,1-tert-butyl 4-2,3,4,5,6-pentafluorophenyl piperidine-1,4-dicarboxylate,o1-tert-butyl o4-2,3,4,5,6-pentakis fluoranyl phenyl piperidine-1,4-dicarboxylate,1,4-piperidinedicarboxylicacid, 1-1,1-dimethylethyl 4-2,3,4,5,6-pentafluorophenyl ester,piperidine-1,4-dicarboxylic acid o1-tert-butyl ester o4-2,3,4,5,6-pentafluorophenyl ester PubChem CID: 11749780 IUPAC Name: 1-O-tert-butyl 4-O-(2,3,4,5,6-pentafluorophenyl) piperidine-1,4-dicarboxylate SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 11749780 |
|---|---|
| CAS | 294885-28-2 |
| Molecular Weight (g/mol) | 395.33 |
| MDL Number | MFCD09879992 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | 1-tert-butyl 4-pentafluorophenyl piperidine-1,4-dicarboxylate,1-tert-butyl 4-2,3,4,5,6-pentafluorophenyl piperidine-1,4-dicarboxylate,o1-tert-butyl o4-2,3,4,5,6-pentakis fluoranyl phenyl piperidine-1,4-dicarboxylate,1,4-piperidinedicarboxylicacid, 1-1,1-dimethylethyl 4-2,3,4,5,6-pentafluorophenyl ester,piperidine-1,4-dicarboxylic acid o1-tert-butyl ester o4-2,3,4,5,6-pentafluorophenyl ester |
| IUPAC Name | 1-O-tert-butyl 4-O-(2,3,4,5,6-pentafluorophenyl) piperidine-1,4-dicarboxylate |
| InChI Key | PPKHOXJANSFRFJ-UHFFFAOYSA-N |
| Molecular Formula | C17H18F5NO4 |
Basic Fuchsin Hydrochloride MP Biomedicals
CAS: 569-61-9 Molecular Formula: C19H18ClN3 Molecular Weight (g/mol): 323.824 InChI Key: JUQPZRLQQYSMEQ-UHFFFAOYSA-N Synonym: basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin PubChem CID: 11292 ChEBI: CHEBI:87663 IUPAC Name: 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl
| PubChem CID | 11292 |
|---|---|
| CAS | 569-61-9 |
| Molecular Weight (g/mol) | 323.824 |
| ChEBI | CHEBI:87663 |
| SMILES | C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl |
| Synonym | basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin |
| IUPAC Name | 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride |
| InChI Key | JUQPZRLQQYSMEQ-UHFFFAOYSA-N |
| Molecular Formula | C19H18ClN3 |
4-Nitrobenzyl Alcohol, Spectrum™ Chemical
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CAS: 619-73-8
| CAS | 619-73-8 |
|---|
4-Methoxyphenoxyacetic acid, 98%
CAS: 1877-75-4 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00014360 InChI Key: BHFSBJHPPFJCOS-UHFFFAOYSA-N Synonym: 4-methoxyphenoxyacetic acid,2-4-methoxyphenoxy acetic acid,4-methoxyphenoxy acetic acid,acetic acid, 4-methoxyphenoxy,p-methoxyphenoxyacetic acid,acetic acid, p-methoxyphenoxy,acetic acid, 2-4-methoxyphenoxy,p-methoxyphenoxy acetic acid,akos bb/0049,rarechem al bo 0321 PubChem CID: 74649 IUPAC Name: 2-(4-methoxyphenoxy)acetic acid SMILES: COC1=CC=C(OCC(O)=O)C=C1
| PubChem CID | 74649 |
|---|---|
| CAS | 1877-75-4 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00014360 |
| SMILES | COC1=CC=C(OCC(O)=O)C=C1 |
| Synonym | 4-methoxyphenoxyacetic acid,2-4-methoxyphenoxy acetic acid,4-methoxyphenoxy acetic acid,acetic acid, 4-methoxyphenoxy,p-methoxyphenoxyacetic acid,acetic acid, p-methoxyphenoxy,acetic acid, 2-4-methoxyphenoxy,p-methoxyphenoxy acetic acid,akos bb/0049,rarechem al bo 0321 |
| IUPAC Name | 2-(4-methoxyphenoxy)acetic acid |
| InChI Key | BHFSBJHPPFJCOS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4-(Trifluoromethyl)benzaldehyde, 98%
CAS: 455-19-6 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00006952 InChI Key: BEOBZEOPTQQELP-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde PubChem CID: 67996 IUPAC Name: 4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C(F)(F)F
| PubChem CID | 67996 |
|---|---|
| CAS | 455-19-6 |
| Molecular Weight (g/mol) | 174.12 |
| MDL Number | MFCD00006952 |
| SMILES | C1=CC(=CC=C1C=O)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde |
| IUPAC Name | 4-(trifluoromethyl)benzaldehyde |
| InChI Key | BEOBZEOPTQQELP-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
4-Bromo-2-fluorophenol, 97+%
CAS: 2105-94-4 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 191.00 MDL Number: MFCD00011722 InChI Key: RYVOZMPTISNBDB-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromophenol,4-bromo-2-fluoro-phenol,phenol, 4-bromo-2-fluoro,4-bromo-2-fluoro phenol,pubchem1488,p-bromo-o-fluorophenol,2-fluoro-4-bromo phenol,acmc-209fh4,ksc204a3n,3-fluoro-4-hydroxy-bromobenzene PubChem CID: 2724981 IUPAC Name: 4-bromo-2-fluorophenol SMILES: OC1=CC=C(Br)C=C1F
| PubChem CID | 2724981 |
|---|---|
| CAS | 2105-94-4 |
| Molecular Weight (g/mol) | 191.00 |
| MDL Number | MFCD00011722 |
| SMILES | OC1=CC=C(Br)C=C1F |
| Synonym | 2-fluoro-4-bromophenol,4-bromo-2-fluoro-phenol,phenol, 4-bromo-2-fluoro,4-bromo-2-fluoro phenol,pubchem1488,p-bromo-o-fluorophenol,2-fluoro-4-bromo phenol,acmc-209fh4,ksc204a3n,3-fluoro-4-hydroxy-bromobenzene |
| IUPAC Name | 4-bromo-2-fluorophenol |
| InChI Key | RYVOZMPTISNBDB-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrFO |
4-Chloro-3-fluorobenzyl bromide, 97%
CAS: 206362-80-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD04115859 InChI Key: CNUYBEIHDWMLSD-UHFFFAOYSA-N Synonym: 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn PubChem CID: 2783136 IUPAC Name: 4-(bromomethyl)-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(CBr)=C1
| PubChem CID | 2783136 |
|---|---|
| CAS | 206362-80-3 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD04115859 |
| SMILES | FC1=C(Cl)C=CC(CBr)=C1 |
| Synonym | 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn |
| IUPAC Name | 4-(bromomethyl)-1-chloro-2-fluorobenzene |
| InChI Key | CNUYBEIHDWMLSD-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
2,4,6-Tribromophenol, 98%
CAS: 118-79-6 Molecular Formula: C6H3Br3O Molecular Weight (g/mol): 330.80 MDL Number: MFCD00002150 InChI Key: BSWWXRFVMJHFBN-UHFFFAOYSA-N Synonym: tribromophenol,bromol,bromkal pur 3,xeroform,phenol, 2,4,6-tribromo,flammex 3bp,unii-ys6k3eu393,ccris 1658,great lakes ph-73,5175-83-7 bismuth 3+ salt PubChem CID: 1483 ChEBI: CHEBI:47696 IUPAC Name: 2,4,6-tribromophenol SMILES: OC1=C(Br)C=C(Br)C=C1Br
| PubChem CID | 1483 |
|---|---|
| CAS | 118-79-6 |
| Molecular Weight (g/mol) | 330.80 |
| ChEBI | CHEBI:47696 |
| MDL Number | MFCD00002150 |
| SMILES | OC1=C(Br)C=C(Br)C=C1Br |
| Synonym | tribromophenol,bromol,bromkal pur 3,xeroform,phenol, 2,4,6-tribromo,flammex 3bp,unii-ys6k3eu393,ccris 1658,great lakes ph-73,5175-83-7 bismuth 3+ salt |
| IUPAC Name | 2,4,6-tribromophenol |
| InChI Key | BSWWXRFVMJHFBN-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br3O |
2,6-Difluorobenzeneboronic acid, 98%
CAS: 162101-25-9 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 MDL Number: MFCD00792436 InChI Key: DBZAICSEFBVFHL-UHFFFAOYSA-N Synonym: 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt PubChem CID: 2734336 IUPAC Name: (2,6-difluorophenyl)boronic acid SMILES: B(C1=C(C=CC=C1F)F)(O)O
| PubChem CID | 2734336 |
|---|---|
| CAS | 162101-25-9 |
| Molecular Weight (g/mol) | 157.911 |
| MDL Number | MFCD00792436 |
| SMILES | B(C1=C(C=CC=C1F)F)(O)O |
| Synonym | 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid,2,6-difluoro phenylboric acid,boronic acid, b-2,6-difluorophenyl,2,6-difluorophenylboricacid,pubchem1816,acmc-1celt |
| IUPAC Name | (2,6-difluorophenyl)boronic acid |
| InChI Key | DBZAICSEFBVFHL-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |