Benzene and substituted derivatives
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trans-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)styrene, 97%
CAS: 83947-56-2 Molecular Formula: C14H19BO2 Molecular Weight (g/mol): 230.11 MDL Number: MFCD03453666 InChI Key: ARAINKADEARZLZ-ZHACJKMWSA-N Synonym: e-4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane,e-phenylethenylboronic acid, pinacol ester,trans-styrylboronic acid, pinacol ester,beta-styrylboronic acid pinacol ester,trans-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl styrene,4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane,trans-beta-styrylboronic acid pinacol ester,trans-2-phenylvinylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-e-2-phenylethenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-e-2-phenylvinyl-1,3,2-dioxaborolane PubChem CID: 5708413 IUPAC Name: 4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)\C=C\C1=CC=CC=C1
| PubChem CID | 5708413 |
|---|---|
| CAS | 83947-56-2 |
| Molecular Weight (g/mol) | 230.11 |
| MDL Number | MFCD03453666 |
| SMILES | CC1(C)OB(OC1(C)C)\C=C\C1=CC=CC=C1 |
| Synonym | e-4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane,e-phenylethenylboronic acid, pinacol ester,trans-styrylboronic acid, pinacol ester,beta-styrylboronic acid pinacol ester,trans-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl styrene,4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane,trans-beta-styrylboronic acid pinacol ester,trans-2-phenylvinylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-e-2-phenylethenyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-e-2-phenylvinyl-1,3,2-dioxaborolane |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane |
| InChI Key | ARAINKADEARZLZ-ZHACJKMWSA-N |
| Molecular Formula | C14H19BO2 |
4-Vinylbenzoic acid, 96%
CAS: 1075-49-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00002569 InChI Key: IRQWEODKXLDORP-UHFFFAOYSA-N Synonym: 4-vinylbenzoic acid,p-vinylbenzoic acid,4-carboxystyrene,benzoic acid, 4-ethenyl,styrene-4-carboxylic acid,4-vinyl-benzoic acid,p-vinyl benzoic acid,4-vinyl benzoic acid,para-vinyl benzoic acid,pubchem12624 PubChem CID: 14098 IUPAC Name: 4-ethenylbenzoic acid SMILES: C=CC1=CC=C(C=C1)C(=O)O
| PubChem CID | 14098 |
|---|---|
| CAS | 1075-49-6 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00002569 |
| SMILES | C=CC1=CC=C(C=C1)C(=O)O |
| Synonym | 4-vinylbenzoic acid,p-vinylbenzoic acid,4-carboxystyrene,benzoic acid, 4-ethenyl,styrene-4-carboxylic acid,4-vinyl-benzoic acid,p-vinyl benzoic acid,4-vinyl benzoic acid,para-vinyl benzoic acid,pubchem12624 |
| IUPAC Name | 4-ethenylbenzoic acid |
| InChI Key | IRQWEODKXLDORP-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
trans-Cinnamoyl chloride, 97%
CAS: 17082-09-6 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.60 MDL Number: MFCD00000732 InChI Key: WOGITNXCNOTRLK-VOTSOKGWSA-N Synonym: cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride PubChem CID: 5354261 IUPAC Name: (2E)-3-phenylprop-2-enoyl chloride SMILES: ClC(=O)\C=C\C1=CC=CC=C1
| PubChem CID | 5354261 |
|---|---|
| CAS | 17082-09-6 |
| Molecular Weight (g/mol) | 166.60 |
| MDL Number | MFCD00000732 |
| SMILES | ClC(=O)\C=C\C1=CC=CC=C1 |
| Synonym | cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride |
| IUPAC Name | (2E)-3-phenylprop-2-enoyl chloride |
| InChI Key | WOGITNXCNOTRLK-VOTSOKGWSA-N |
| Molecular Formula | C9H7ClO |
4-Vinylbenzeneboronic acid, 97%
CAS: 2156-04-9 Molecular Formula: C8H9BO2 Molecular Weight (g/mol): 147.97 MDL Number: MFCD00239441 InChI Key: QWMJEUJXWVZSAG-UHFFFAOYSA-N Synonym: 4-vinylphenylboronic acid,4-vinylbenzeneboronic acid,4-vinylphenyl boronic acid,4-ethenylphenyl boronic acid,4-vinylboronic acid,p-styrylboronic acid,p-vinylphenylboronic acid,styrene-4-boronic acid,boronic acid, 4-ethenylphenyl,4-styreneboronic acid PubChem CID: 2734393 IUPAC Name: (4-ethenylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C)C=C1
| PubChem CID | 2734393 |
|---|---|
| CAS | 2156-04-9 |
| Molecular Weight (g/mol) | 147.97 |
| MDL Number | MFCD00239441 |
| SMILES | OB(O)C1=CC=C(C=C)C=C1 |
| Synonym | 4-vinylphenylboronic acid,4-vinylbenzeneboronic acid,4-vinylphenyl boronic acid,4-ethenylphenyl boronic acid,4-vinylboronic acid,p-styrylboronic acid,p-vinylphenylboronic acid,styrene-4-boronic acid,boronic acid, 4-ethenylphenyl,4-styreneboronic acid |
| IUPAC Name | (4-ethenylphenyl)boronic acid |
| InChI Key | QWMJEUJXWVZSAG-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO2 |
1,9-Diphenyl-1,3,6,8-nonatetraen-5-one, 97+%, Thermo Scientific Chemicals
CAS: 622-21-9 Molecular Formula: C21H18O Molecular Weight (g/mol): 286.374 MDL Number: MFCD00004792 InChI Key: RLJALOQFYHCJKG-XCBHXTLASA-N Synonym: acetone, dicinnamylidene,1z,3e,6e,8e-1,9-diphenylnona-1,3,6,8-tetraen-5-one,1,9-diphenylnona-1,3,6,8-tetraen-5-one,1,3,6,8-nonatetraen-5-one, 1,9-diphenyl,1,6,8-nonatetraen-5-one, 1,9-diphenyl,1z,3e,6e,8e-1,9-diphenyl-5-nona-1,3,6,8-tetraenone PubChem CID: 6436875 IUPAC Name: (1Z,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one SMILES: C1=CC=C(C=C1)C=CC=CC(=O)C=CC=CC2=CC=CC=C2
| PubChem CID | 6436875 |
|---|---|
| CAS | 622-21-9 |
| Molecular Weight (g/mol) | 286.374 |
| MDL Number | MFCD00004792 |
| SMILES | C1=CC=C(C=C1)C=CC=CC(=O)C=CC=CC2=CC=CC=C2 |
| Synonym | acetone, dicinnamylidene,1z,3e,6e,8e-1,9-diphenylnona-1,3,6,8-tetraen-5-one,1,9-diphenylnona-1,3,6,8-tetraen-5-one,1,3,6,8-nonatetraen-5-one, 1,9-diphenyl,1,6,8-nonatetraen-5-one, 1,9-diphenyl,1z,3e,6e,8e-1,9-diphenyl-5-nona-1,3,6,8-tetraenone |
| IUPAC Name | (1Z,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one |
| InChI Key | RLJALOQFYHCJKG-XCBHXTLASA-N |
| Molecular Formula | C21H18O |
Polystyrene, atactic
CAS: 9003-53-6 Molecular Formula: (C8H8)n Molecular Weight (g/mol): 104.15 MDL Number: MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: styrene SMILES: *-CC(-*)C1=CC=CC=C1
| PubChem CID | 7501 |
|---|---|
| CAS | 9003-53-6 |
| Molecular Weight (g/mol) | 104.15 |
| ChEBI | CHEBI:27452 |
| MDL Number | MFCD00084450 |
| SMILES | *-CC(-*)C1=CC=CC=C1 |
| Synonym | ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene |
| IUPAC Name | styrene |
| InChI Key | PPBRXRYQALVLMV-UHFFFAOYSA-N |
| Molecular Formula | (C8H8)n |
Tris(dibenzylideneacetone)dipalladium(0), complex with chloroform, Pd 20.6%
CAS: 52522-40-4 Molecular Formula: C52H43Cl3O3Pd2 Molecular Weight (g/mol): 1035.10 MDL Number: MFCD00075479 InChI Key: LNAMMBFJMYMQTO-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium-chloroform adduct,tris dibenylideneacetone dipalladium-chloroform,tris dibenzylideneacetone dipalladium 0 chloroform adduct,tris dibenzylideneacetone dipalladium 0-chloroform adduct,tris dibenzylideneacetone dipalladium chloroform adduct,tris dibenzylideneacetone dipalladium-chloroform,pd2 dba 3 chcl3,tris dibenzylideneacetone chloroform-di-palladium 0,tris dibenzylideneacetone dipalladium chloroform complex PubChem CID: 11029508 IUPAC Name: chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].[Pd].ClC(Cl)Cl.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
| PubChem CID | 11029508 |
|---|---|
| CAS | 52522-40-4 |
| Molecular Weight (g/mol) | 1035.10 |
| MDL Number | MFCD00075479 |
| SMILES | [Pd].[Pd].ClC(Cl)Cl.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1 |
| Synonym | tris dibenzylideneacetone dipalladium-chloroform adduct,tris dibenylideneacetone dipalladium-chloroform,tris dibenzylideneacetone dipalladium 0 chloroform adduct,tris dibenzylideneacetone dipalladium 0-chloroform adduct,tris dibenzylideneacetone dipalladium chloroform adduct,tris dibenzylideneacetone dipalladium-chloroform,pd2 dba 3 chcl3,tris dibenzylideneacetone chloroform-di-palladium 0,tris dibenzylideneacetone dipalladium chloroform complex |
| IUPAC Name | chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium |
| InChI Key | LNAMMBFJMYMQTO-UHFFFAOYSA-N |
| Molecular Formula | C52H43Cl3O3Pd2 |
trans-4-Phenyl-3-buten-2-one, 99%
CAS: 1896-62-4 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00008779 InChI Key: BWHOZHOGCMHOBV-BQYQJAHWSA-N Synonym: benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton PubChem CID: 637759 ChEBI: CHEBI:78399 IUPAC Name: (E)-4-phenylbut-3-en-2-one SMILES: CC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637759 |
|---|---|
| CAS | 1896-62-4 |
| Molecular Weight (g/mol) | 146.19 |
| ChEBI | CHEBI:78399 |
| MDL Number | MFCD00008779 |
| SMILES | CC(=O)C=CC1=CC=CC=C1 |
| Synonym | benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton |
| IUPAC Name | (E)-4-phenylbut-3-en-2-one |
| InChI Key | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O |
4-Aminostyrene, 97%, stab.
CAS: 1520-21-4 Molecular Formula: C8H9N Molecular Weight (g/mol): 119.167 MDL Number: MFCD00015329 InChI Key: LBSXSAXOLABXMF-UHFFFAOYSA-N PubChem CID: 73700 IUPAC Name: 4-ethenylaniline SMILES: C=CC1=CC=C(C=C1)N
| PubChem CID | 73700 |
|---|---|
| CAS | 1520-21-4 |
| Molecular Weight (g/mol) | 119.167 |
| MDL Number | MFCD00015329 |
| SMILES | C=CC1=CC=C(C=C1)N |
| IUPAC Name | 4-ethenylaniline |
| InChI Key | LBSXSAXOLABXMF-UHFFFAOYSA-N |
| Molecular Formula | C8H9N |
Triclosan, USP, 97-103%, Spectrum™ Chemical
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CAS: 3380-34-5 Molecular Formula: C12H7Cl3O2 Molecular Weight (g/mol): 289.54 InChI Key: XEFQLINVKFYRCS-UHFFFAOYSA-N IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol SMILES: OC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1Cl
| CAS | 3380-34-5 |
|---|---|
| Molecular Weight (g/mol) | 289.54 |
| SMILES | OC1=CC(Cl)=CC=C1OC1=CC=C(Cl)C=C1Cl |
| IUPAC Name | 5-chloro-2-(2,4-dichlorophenoxy)phenol |
| InChI Key | XEFQLINVKFYRCS-UHFFFAOYSA-N |
| Molecular Formula | C12H7Cl3O2 |
4-Chloro-2,5-dimethoxyaniline, 98%
CAS: 6358-64-1 Molecular Formula: C8H10ClNO2 Molecular Weight (g/mol): 187.62 MDL Number: MFCD00014893 InChI Key: YGUFQYGSBVXPMC-UHFFFAOYSA-N Synonym: 2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718 PubChem CID: 22833 IUPAC Name: 4-chloro-2,5-dimethoxyaniline SMILES: COC1=CC(Cl)=C(OC)C=C1N
| PubChem CID | 22833 |
|---|---|
| CAS | 6358-64-1 |
| Molecular Weight (g/mol) | 187.62 |
| MDL Number | MFCD00014893 |
| SMILES | COC1=CC(Cl)=C(OC)C=C1N |
| Synonym | 2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718 |
| IUPAC Name | 4-chloro-2,5-dimethoxyaniline |
| InChI Key | YGUFQYGSBVXPMC-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO2 |
3,5-Difluoro-4-methoxyaniline, 97%
CAS: 363-47-3 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.14 MDL Number: MFCD04115910 InChI Key: POVSDXPEJZMSEJ-UHFFFAOYSA-N Synonym: 4-amino-2,6-fluoroanisole,benzenamine, 3,5-difluoro-4-methoxy-9ci,3,5-difluoro-4-methoxy-aniline,benzenamine,3,5-difluoro-4-methoxy,pubchem10104,3,5-difluoro-4-methxoyaniline,3,5-difluoro-4-methoxybenzenamine,3,5-difluoro-4-methoxyphenylamine,3,5-difluoro-4-methoxybenzeneamine,3,5-difluoro-4-methoxy-benzenamine PubChem CID: 2783137 IUPAC Name: 3,5-difluoro-4-methoxyaniline SMILES: COC1=C(F)C=C(N)C=C1F
| PubChem CID | 2783137 |
|---|---|
| CAS | 363-47-3 |
| Molecular Weight (g/mol) | 159.14 |
| MDL Number | MFCD04115910 |
| SMILES | COC1=C(F)C=C(N)C=C1F |
| Synonym | 4-amino-2,6-fluoroanisole,benzenamine, 3,5-difluoro-4-methoxy-9ci,3,5-difluoro-4-methoxy-aniline,benzenamine,3,5-difluoro-4-methoxy,pubchem10104,3,5-difluoro-4-methxoyaniline,3,5-difluoro-4-methoxybenzenamine,3,5-difluoro-4-methoxyphenylamine,3,5-difluoro-4-methoxybenzeneamine,3,5-difluoro-4-methoxy-benzenamine |
| IUPAC Name | 3,5-difluoro-4-methoxyaniline |
| InChI Key | POVSDXPEJZMSEJ-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2NO |
1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 187998-64-7 Molecular Formula: C12H12N2O3 Molecular Weight (g/mol): 232.239 MDL Number: MFCD02677745 InChI Key: JPFGKGZYCXLEGQ-UHFFFAOYSA-N PubChem CID: 2776133 IUPAC Name: 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid SMILES: CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O
| PubChem CID | 2776133 |
|---|---|
| CAS | 187998-64-7 |
| Molecular Weight (g/mol) | 232.239 |
| MDL Number | MFCD02677745 |
| SMILES | CC1=C(C=NN1C2=CC=C(C=C2)OC)C(=O)O |
| IUPAC Name | 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylic acid |
| InChI Key | JPFGKGZYCXLEGQ-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O3 |
3-Methoxy-N,N-dimethylaniline, 98%, Thermo Scientific Chemicals
CAS: 15799-79-8 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00051779 InChI Key: MOYHVSKDHLMMPS-UHFFFAOYSA-N Synonym: 3-dimethylaminoanisole,n,n-dimethyl-m-anisidine,3-methoxy-n,n-dimethylbenzenamine,3-methoxyphenyl dimethylamine,3-dimethylamino-anisole,acmc-1c3gj,m-methoxy-n,n-dimethylanilin,n,n-dimethyl-3-methoxyaniline,n1,n1-dimethyl-3-methoxyaniline,3-methoxy-n,n-dimethylbenzeneamine PubChem CID: 139977 IUPAC Name: 3-methoxy-N,N-dimethylaniline SMILES: CN(C)C1=CC(=CC=C1)OC
| PubChem CID | 139977 |
|---|---|
| CAS | 15799-79-8 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00051779 |
| SMILES | CN(C)C1=CC(=CC=C1)OC |
| Synonym | 3-dimethylaminoanisole,n,n-dimethyl-m-anisidine,3-methoxy-n,n-dimethylbenzenamine,3-methoxyphenyl dimethylamine,3-dimethylamino-anisole,acmc-1c3gj,m-methoxy-n,n-dimethylanilin,n,n-dimethyl-3-methoxyaniline,n1,n1-dimethyl-3-methoxyaniline,3-methoxy-n,n-dimethylbenzeneamine |
| IUPAC Name | 3-methoxy-N,N-dimethylaniline |
| InChI Key | MOYHVSKDHLMMPS-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
5-Chloro-2-methoxyaniline, 98%
CAS: 95-03-4 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.597 MDL Number: MFCD00007777 InChI Key: WBSMIPLNPSCJFS-UHFFFAOYSA-N Synonym: 2-amino-4-chloroanisole,5-chloro-o-anisidine,benzenamine, 5-chloro-2-methoxy,2-methoxy-5-chloroaniline,tulabase fast red r,tulabase fast red rc,4-chloro-2-aminoanisole,o-anisidine, 5-chloro,5-chloro-2-methoxyphenylamine,p-chloro-o-aminoanisole PubChem CID: 66763 IUPAC Name: 5-chloro-2-methoxyaniline SMILES: COC1=C(C=C(C=C1)Cl)N
| PubChem CID | 66763 |
|---|---|
| CAS | 95-03-4 |
| Molecular Weight (g/mol) | 157.597 |
| MDL Number | MFCD00007777 |
| SMILES | COC1=C(C=C(C=C1)Cl)N |
| Synonym | 2-amino-4-chloroanisole,5-chloro-o-anisidine,benzenamine, 5-chloro-2-methoxy,2-methoxy-5-chloroaniline,tulabase fast red r,tulabase fast red rc,4-chloro-2-aminoanisole,o-anisidine, 5-chloro,5-chloro-2-methoxyphenylamine,p-chloro-o-aminoanisole |
| IUPAC Name | 5-chloro-2-methoxyaniline |
| InChI Key | WBSMIPLNPSCJFS-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClNO |