Benzenoids
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3-(Trifluoromethyl)benzoyl chloride, 98%
CAS: 2251-65-2 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.57 MDL Number: MFCD00000680 InChI Key: RUJYJCANMOTJMO-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 PubChem CID: 75257 IUPAC Name: 3-(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
| PubChem CID | 75257 |
|---|---|
| CAS | 2251-65-2 |
| Molecular Weight (g/mol) | 208.57 |
| MDL Number | MFCD00000680 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl |
| Synonym | 3-trifluoromethyl benzoyl chloride,benzoyl chloride, 3-trifluoromethyl,m-trifluoromethyl benzoyl chloride,m-trifluoromethylbenzoyl chloride,alpha,alpha,alpha-trifluoro-m-toluoyl chloride,3-trifluoromethyl benzoylchloride,3-trifluoromethyl-benzoyl chloride,alpha,alpha,alpha-trifluoro-m-tolyl chloride,pubchem5468 |
| IUPAC Name | 3-(trifluoromethyl)benzoyl chloride |
| InChI Key | RUJYJCANMOTJMO-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClF3O |
trans,trans-1,4-Diphenyl-1,3-butadiene, 98+%
CAS: 538-81-8 Molecular Formula: C16H14 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00004791 InChI Key: JFLKFZNIIQFQBS-FNCQTZNRSA-N Synonym: bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl PubChem CID: 641683 ChEBI: CHEBI:35100 IUPAC Name: [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene SMILES: C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1
| PubChem CID | 641683 |
|---|---|
| CAS | 538-81-8 |
| Molecular Weight (g/mol) | 206.29 |
| ChEBI | CHEBI:35100 |
| MDL Number | MFCD00004791 |
| SMILES | C(\C=C\C1=CC=CC=C1)=C/C1=CC=CC=C1 |
| Synonym | bistyryl,1,4-diphenyl-1,3-butadiene,1,4-diphenylbutadiene,trans,trans-1,4-diphenyl-1,3-butadiene,1,4-diphenylerythrene,distyryl,trans,trans-1,4-diphenylbuta-1,3-diene,1,4-diphenylbuta-1,3-diene,1,1'-1e,3e-buta-1,3-diene-1,4-diyldibenzene,1,3-butadiene, 1,4-diphenyl |
| IUPAC Name | [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene |
| InChI Key | JFLKFZNIIQFQBS-FNCQTZNRSA-N |
| Molecular Formula | C16H14 |
o-Dianisidine, free base, 99.9%, MP Biomedicals™
CAS: 119-90-4 Molecular Formula: C14H16N2O2 Molecular Weight (g/mol): 244.294 InChI Key: JRBJSXQPQWSCCF-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b PubChem CID: 8411 ChEBI: CHEBI:82321 IUPAC Name: 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N
| PubChem CID | 8411 |
|---|---|
| CAS | 119-90-4 |
| Molecular Weight (g/mol) | 244.294 |
| ChEBI | CHEBI:82321 |
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N |
| Synonym | 3,3'-dimethoxybenzidine,o-dianisidine,dianisidine,cellitazol b,neutrosel navy bn,diacel navy dc,disperse black 6,blue base nb,blue bn base,blue base irga b |
| IUPAC Name | 4-(4-amino-3-methoxyphenyl)-2-methoxyaniline |
| InChI Key | JRBJSXQPQWSCCF-UHFFFAOYSA-N |
| Molecular Formula | C14H16N2O2 |
4,4'-Diaminodiphenyl sulfone, 98%
CAS: 80-08-0 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.3 MDL Number: MFCD00007887 InChI Key: MQJKPEGWNLWLTK-UHFFFAOYSA-N Synonym: dapsone,diaphenylsulfone,4,4'-diaminodiphenyl sulfone,dapson,4,4'-sulfonyldianiline,diaphenylsulfon,sulfona,4-aminophenyl sulfone,avlosulfone,diphenasone PubChem CID: 2955 ChEBI: CHEBI:4325 IUPAC Name: 4-(4-aminophenyl)sulfonylaniline SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
| PubChem CID | 2955 |
|---|---|
| CAS | 80-08-0 |
| Molecular Weight (g/mol) | 248.3 |
| ChEBI | CHEBI:4325 |
| MDL Number | MFCD00007887 |
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N |
| Synonym | dapsone,diaphenylsulfone,4,4'-diaminodiphenyl sulfone,dapson,4,4'-sulfonyldianiline,diaphenylsulfon,sulfona,4-aminophenyl sulfone,avlosulfone,diphenasone |
| IUPAC Name | 4-(4-aminophenyl)sulfonylaniline |
| InChI Key | MQJKPEGWNLWLTK-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O2S |
alpha-Bromostyrene, 95%, stabilized
CAS: 98-81-7 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 MDL Number: MFCD00012229 InChI Key: SRXJYTZCORKVNA-UHFFFAOYSA-N Synonym: 1-bromovinyl benzene,alpha-bromostyrene,benzene, 1-bromoethenyl,1-bromostyrene,styrene, alpha-bromo,1-phenylvinyl bromide,alpha-bromostyrol russian,styrene, .alpha.-bromo,unii-lf0sj1821n,alpha-bromostyrol PubChem CID: 66828 IUPAC Name: 1-bromoethenylbenzene SMILES: BrC(=C)C1=CC=CC=C1
| PubChem CID | 66828 |
|---|---|
| CAS | 98-81-7 |
| Molecular Weight (g/mol) | 183.05 |
| MDL Number | MFCD00012229 |
| SMILES | BrC(=C)C1=CC=CC=C1 |
| Synonym | 1-bromovinyl benzene,alpha-bromostyrene,benzene, 1-bromoethenyl,1-bromostyrene,styrene, alpha-bromo,1-phenylvinyl bromide,alpha-bromostyrol russian,styrene, .alpha.-bromo,unii-lf0sj1821n,alpha-bromostyrol |
| IUPAC Name | 1-bromoethenylbenzene |
| InChI Key | SRXJYTZCORKVNA-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
2-tert-Butylaniline, 98%
CAS: 6310-21-0 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00130023 InChI Key: AEIOZWYBDBVCGW-UHFFFAOYSA-N Synonym: 2-tert-butyl aniline,2-tert-butylphenylamine,benzenamine, 2-1,1-dimethylethyl,2-t-butylaniline,2-tert-butyl-phenylamine,2-1,1-dimethylethyl benzenamine,2-tert-butyl phenylamine,pubchem20188,aniline, 2-tert-butyl PubChem CID: 80574 IUPAC Name: 2-tert-butylaniline SMILES: CC(C)(C)C1=CC=CC=C1N
| PubChem CID | 80574 |
|---|---|
| CAS | 6310-21-0 |
| Molecular Weight (g/mol) | 149.24 |
| MDL Number | MFCD00130023 |
| SMILES | CC(C)(C)C1=CC=CC=C1N |
| Synonym | 2-tert-butyl aniline,2-tert-butylphenylamine,benzenamine, 2-1,1-dimethylethyl,2-t-butylaniline,2-tert-butyl-phenylamine,2-1,1-dimethylethyl benzenamine,2-tert-butyl phenylamine,pubchem20188,aniline, 2-tert-butyl |
| IUPAC Name | 2-tert-butylaniline |
| InChI Key | AEIOZWYBDBVCGW-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
4-Isopropylaniline, 99%
CAS: 99-88-7 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007900 InChI Key: LRTFPLFDLJYEKT-UHFFFAOYSA-N Synonym: 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl PubChem CID: 7464 ChEBI: CHEBI:43405 IUPAC Name: 4-propan-2-ylaniline SMILES: CC(C)C1=CC=C(C=C1)N
| PubChem CID | 7464 |
|---|---|
| CAS | 99-88-7 |
| Molecular Weight (g/mol) | 135.21 |
| ChEBI | CHEBI:43405 |
| MDL Number | MFCD00007900 |
| SMILES | CC(C)C1=CC=C(C=C1)N |
| Synonym | 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl |
| IUPAC Name | 4-propan-2-ylaniline |
| InChI Key | LRTFPLFDLJYEKT-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
2-Isopropylaniline, 97%
CAS: 643-28-7 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007720 InChI Key: YKOLZVXSPGIIBJ-UHFFFAOYSA-N Synonym: 2-isopropylaniline,o-isopropylaniline,o-cumidine,2-propan-2-yl aniline,benzenamine, 2-1-methylethyl,o-aminoisopropylbenzene,2-isopropyl aniline,2-aminoisopropylbenzene,aniline, o-isopropyl,o-isopropyl aniline PubChem CID: 12561 SMILES: CC(C)C1=CC=CC=C1N
| PubChem CID | 12561 |
|---|---|
| CAS | 643-28-7 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00007720 |
| SMILES | CC(C)C1=CC=CC=C1N |
| Synonym | 2-isopropylaniline,o-isopropylaniline,o-cumidine,2-propan-2-yl aniline,benzenamine, 2-1-methylethyl,o-aminoisopropylbenzene,2-isopropyl aniline,2-aminoisopropylbenzene,aniline, o-isopropyl,o-isopropyl aniline |
| InChI Key | YKOLZVXSPGIIBJ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
4-Mercaptophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| Molecular Weight (g/mol) | 153.99 |
|---|---|
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=C(C=C1)S)(O)O |
| InChI Key | AUVSUPMVIZXUOG-UHFFFAOYSA-N |
| PubChem CID | 4431894 |
| CAS | 237429-33-3 |
| MDL Number | MFCD03093887 |
| Synonym | 4-Mercaptobenzeneboronic Acid |
| TSCA | No |
| IUPAC Name | (4-sulfanylphenyl)boronic acid |
| Molecular Formula | C6H7BO2S |
| Formula Weight | 153.99 |
| Melting Point | 220°C |
2,3,4,5,6-Pentafluorobenzeneboronic acid, 97%
CAS: 1582-24-7 Molecular Formula: C6H2BF5O2 Molecular Weight (g/mol): 211.88 MDL Number: MFCD01074663 InChI Key: VASOMTXTRMYSKD-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzeneboronic acid,pentafluorophenylboronic acid,perfluorophenylboronic acid,pentafluorobenzeneboronic acid,boronic acid, pentafluorophenyl,pentafluorophenyl boronic acid,2,3,4,5,6-pentafluorophenyl boronic acid,boronic acid, b-2,3,4,5,6-pentafluorophenyl,pubchem22760,rarechem ah pb 0049 PubChem CID: 2775922 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)boronic acid SMILES: OB(O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 2775922 |
|---|---|
| CAS | 1582-24-7 |
| Molecular Weight (g/mol) | 211.88 |
| MDL Number | MFCD01074663 |
| SMILES | OB(O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | 2,3,4,5,6-pentafluorobenzeneboronic acid,pentafluorophenylboronic acid,perfluorophenylboronic acid,pentafluorobenzeneboronic acid,boronic acid, pentafluorophenyl,pentafluorophenyl boronic acid,2,3,4,5,6-pentafluorophenyl boronic acid,boronic acid, b-2,3,4,5,6-pentafluorophenyl,pubchem22760,rarechem ah pb 0049 |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)boronic acid |
| InChI Key | VASOMTXTRMYSKD-UHFFFAOYSA-N |
| Molecular Formula | C6H2BF5O2 |
Nordihydroguaiaretic acid, 95%
CAS: 500-38-9 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 MDL Number: MFCD00002206 InChI Key: HCZKYJDFEPMADG-UHFFFAOYSA-N Synonym: nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane PubChem CID: 4534 ChEBI: CHEBI:7625 IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
| PubChem CID | 4534 |
|---|---|
| CAS | 500-38-9 |
| Molecular Weight (g/mol) | 302.37 |
| ChEBI | CHEBI:7625 |
| MDL Number | MFCD00002206 |
| SMILES | CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O |
| Synonym | nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane |
| IUPAC Name | 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol |
| InChI Key | HCZKYJDFEPMADG-UHFFFAOYSA-N |
| Molecular Formula | C18H22O4 |
2-(1-Adamantyl)-4-methylphenol, 99%
CAS: 41031-50-9 Molecular Formula: C17H22O Molecular Weight (g/mol): 242.36 MDL Number: MFCD00168147 InChI Key: XHLJIHBDAJFXBE-UHFFFAOYSA-N Synonym: 2-1-adamantyl-4-methylphenol,2-adamantan-1-yl-4-methylphenol,pubchem21690,acmc-1anoj,2-1-adamantyl-4-methyl-phenol,2-adamantan-1-yl-4-methyl-phenol,phenol,4-methyl-2-tricyclo 3.3.1.13,7 dec-1-yl,4-methyl-2-3r,5s,7s-adamantan-1-yl phenol,phenol, 4-methyl-2-tricyclo 3.3.1.1 3,7 dec-1-yl PubChem CID: 617992 IUPAC Name: 2-(1-adamantyl)-4-methylphenol SMILES: CC1=CC(=C(O)C=C1)C12CC3CC(CC(C3)C1)C2
| PubChem CID | 617992 |
|---|---|
| CAS | 41031-50-9 |
| Molecular Weight (g/mol) | 242.36 |
| MDL Number | MFCD00168147 |
| SMILES | CC1=CC(=C(O)C=C1)C12CC3CC(CC(C3)C1)C2 |
| Synonym | 2-1-adamantyl-4-methylphenol,2-adamantan-1-yl-4-methylphenol,pubchem21690,acmc-1anoj,2-1-adamantyl-4-methyl-phenol,2-adamantan-1-yl-4-methyl-phenol,phenol,4-methyl-2-tricyclo 3.3.1.13,7 dec-1-yl,4-methyl-2-3r,5s,7s-adamantan-1-yl phenol,phenol, 4-methyl-2-tricyclo 3.3.1.1 3,7 dec-1-yl |
| IUPAC Name | 2-(1-adamantyl)-4-methylphenol |
| InChI Key | XHLJIHBDAJFXBE-UHFFFAOYSA-N |
| Molecular Formula | C17H22O |
1,4-Diphenoxybenzene, 97%
CAS: 3061-36-7 Molecular Formula: C18H14O2 Molecular Weight (g/mol): 262.308 MDL Number: MFCD00038368 InChI Key: UVGPELGZPWDPFP-UHFFFAOYSA-N Synonym: benzene, 1,4-diphenoxy,p-diphenoxybenzene,hydroquinone diphenyl ether,p-phenoxyphenoxybenzene,benzene, p-diphenoxy,4-phenoxydiphenyl oxide,1,1'-1,4-phenylenebis oxy dibenzene,1,4-diphenoxy-benzene,acmc-1cqa0 PubChem CID: 520487 ChEBI: CHEBI:39271 IUPAC Name: 1,4-diphenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=CC=C3
| PubChem CID | 520487 |
|---|---|
| CAS | 3061-36-7 |
| Molecular Weight (g/mol) | 262.308 |
| ChEBI | CHEBI:39271 |
| MDL Number | MFCD00038368 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=CC=C3 |
| Synonym | benzene, 1,4-diphenoxy,p-diphenoxybenzene,hydroquinone diphenyl ether,p-phenoxyphenoxybenzene,benzene, p-diphenoxy,4-phenoxydiphenyl oxide,1,1'-1,4-phenylenebis oxy dibenzene,1,4-diphenoxy-benzene,acmc-1cqa0 |
| IUPAC Name | 1,4-diphenoxybenzene |
| InChI Key | UVGPELGZPWDPFP-UHFFFAOYSA-N |
| Molecular Formula | C18H14O2 |
Butylated Hydroxyanisole, 98.5%, MP Biomedicals™
CAS: 25013-16-5 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.247 InChI Key: MRBKEAMVRSLQPH-UHFFFAOYSA-N Synonym: 3-tert-butyl-4-hydroxyanisole,4-hydroxy-3-tert-butylanisole,2-tert-butyl-4-methoxyphenol,3-bha,4-methoxy-2-tert-butylphenol,3-t-butyl-4-hydroxyanisole,phenol, 2-1,1-dimethylethyl-4-methoxy,2-1,1-dimethylethyl-4-methoxyphenol,2-butyl-4-hydroxyanisole,phenol, 2-tert-butyl-4-methoxy PubChem CID: 8456 ChEBI: CHEBI:76358 IUPAC Name: 2-tert-butyl-4-methoxyphenol SMILES: CC(C)(C)C1=C(C=CC(=C1)OC)O
| PubChem CID | 8456 |
|---|---|
| CAS | 25013-16-5 |
| Molecular Weight (g/mol) | 180.247 |
| ChEBI | CHEBI:76358 |
| SMILES | CC(C)(C)C1=C(C=CC(=C1)OC)O |
| Synonym | 3-tert-butyl-4-hydroxyanisole,4-hydroxy-3-tert-butylanisole,2-tert-butyl-4-methoxyphenol,3-bha,4-methoxy-2-tert-butylphenol,3-t-butyl-4-hydroxyanisole,phenol, 2-1,1-dimethylethyl-4-methoxy,2-1,1-dimethylethyl-4-methoxyphenol,2-butyl-4-hydroxyanisole,phenol, 2-tert-butyl-4-methoxy |
| IUPAC Name | 2-tert-butyl-4-methoxyphenol |
| InChI Key | MRBKEAMVRSLQPH-UHFFFAOYSA-N |
| Molecular Formula | C11H16O2 |
4-Bromo-N-methylbenzylamine, 97%
CAS: 699-03-6 Molecular Formula: C8H10BrN Molecular Weight (g/mol): 200.079 MDL Number: MFCD04507522 InChI Key: URFJXIULELMVHV-UHFFFAOYSA-N Synonym: n-methyl-4-bromobenzylamine,1-4-bromophenyl-n-methylmethanamine,4-bromo-n-methylbenzylamine,4-bromobenzyl methylamine,benzenemethanamine, 4-bromo-n-methyl,4-bromophenyl methyl methyl amine,4-bromo methylbenzylamine,1-4-bromophenyl-n-methyl-methanamine,acmc-20a2f7,4-bromo-benzyl-methyl-amine PubChem CID: 485400 IUPAC Name: 1-(4-bromophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)Br
| PubChem CID | 485400 |
|---|---|
| CAS | 699-03-6 |
| Molecular Weight (g/mol) | 200.079 |
| MDL Number | MFCD04507522 |
| SMILES | CNCC1=CC=C(C=C1)Br |
| Synonym | n-methyl-4-bromobenzylamine,1-4-bromophenyl-n-methylmethanamine,4-bromo-n-methylbenzylamine,4-bromobenzyl methylamine,benzenemethanamine, 4-bromo-n-methyl,4-bromophenyl methyl methyl amine,4-bromo methylbenzylamine,1-4-bromophenyl-n-methyl-methanamine,acmc-20a2f7,4-bromo-benzyl-methyl-amine |
| IUPAC Name | 1-(4-bromophenyl)-N-methylmethanamine |
| InChI Key | URFJXIULELMVHV-UHFFFAOYSA-N |
| Molecular Formula | C8H10BrN |