Benzene and substituted derivatives
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3,5-Difluorobenzyl Cyanide 98.0+%, TCI America™
CAS: 122376-76-5 Molecular Formula: C8H5F2N Molecular Weight (g/mol): 153.132 MDL Number: MFCD00061278 InChI Key: OBMYMTSBABEPIB-UHFFFAOYSA-N Synonym: 3,5-difluorophenylacetonitrile,2-3,5-difluorophenyl acetonitrile,3,5-difluorobenzyl cyanide,3,5-difluorobenzylcyanide,benzeneacetonitrile, 3,5-difluoro,3,5-difluorophenyl acetonitrile,2-3,5-difluorophenyl ethanenitrile,pubchem1588,acmc-1bxc0 PubChem CID: 518565 IUPAC Name: 2-(3,5-difluorophenyl)acetonitrile SMILES: C1=C(C=C(C=C1F)F)CC#N
| PubChem CID | 518565 |
|---|---|
| CAS | 122376-76-5 |
| Molecular Weight (g/mol) | 153.132 |
| MDL Number | MFCD00061278 |
| SMILES | C1=C(C=C(C=C1F)F)CC#N |
| Synonym | 3,5-difluorophenylacetonitrile,2-3,5-difluorophenyl acetonitrile,3,5-difluorobenzyl cyanide,3,5-difluorobenzylcyanide,benzeneacetonitrile, 3,5-difluoro,3,5-difluorophenyl acetonitrile,2-3,5-difluorophenyl ethanenitrile,pubchem1588,acmc-1bxc0 |
| IUPAC Name | 2-(3,5-difluorophenyl)acetonitrile |
| InChI Key | OBMYMTSBABEPIB-UHFFFAOYSA-N |
| Molecular Formula | C8H5F2N |
4-Fluoro-3-methylbenzonitrile 98.0+%, TCI America™
CAS: 185147-08-4 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.14 MDL Number: MFCD03788510 InChI Key: ZMEAHKIIWJDJFT-UHFFFAOYSA-N Synonym: 3-methyl-4-fluorobenzonitrile,3-methyl-4-fluoro benzonitrile,benzonitrile, 4-fluoro-3-methyl,4-fluoro-3-methyl-benzonitrile,2-fluoro-5-cyanotoluene,5-cyano-2-fluorotoluene,4-fluoro-3-methylbenzenecarbonitrile,pubchem1553,4-fluoro-m-tolunitrile,acmc-209emo PubChem CID: 2779180 IUPAC Name: 4-fluoro-3-methylbenzonitrile SMILES: CC1=CC(=CC=C1F)C#N
| PubChem CID | 2779180 |
|---|---|
| CAS | 185147-08-4 |
| Molecular Weight (g/mol) | 135.14 |
| MDL Number | MFCD03788510 |
| SMILES | CC1=CC(=CC=C1F)C#N |
| Synonym | 3-methyl-4-fluorobenzonitrile,3-methyl-4-fluoro benzonitrile,benzonitrile, 4-fluoro-3-methyl,4-fluoro-3-methyl-benzonitrile,2-fluoro-5-cyanotoluene,5-cyano-2-fluorotoluene,4-fluoro-3-methylbenzenecarbonitrile,pubchem1553,4-fluoro-m-tolunitrile,acmc-209emo |
| IUPAC Name | 4-fluoro-3-methylbenzonitrile |
| InChI Key | ZMEAHKIIWJDJFT-UHFFFAOYSA-N |
| Molecular Formula | C8H6FN |
Cinnamyltriphenylphosphonium Bromide 96.0+%, TCI America™
CAS: 7310-74-9 Molecular Formula: C27H24BrP Molecular Weight (g/mol): 459.37 MDL Number: MFCD00040767 InChI Key: APIBROGXENTUGB-ZUQRMPMESA-M PubChem CID: 53471258 IUPAC Name: triphenyl[(2E)-3-phenylprop-2-en-1-yl]phosphanium bromide SMILES: [Br-].C(\C=C\C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 53471258 |
|---|---|
| CAS | 7310-74-9 |
| Molecular Weight (g/mol) | 459.37 |
| MDL Number | MFCD00040767 |
| SMILES | [Br-].C(\C=C\C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | triphenyl[(2E)-3-phenylprop-2-en-1-yl]phosphanium bromide |
| InChI Key | APIBROGXENTUGB-ZUQRMPMESA-M |
| Molecular Formula | C27H24BrP |
2-Chloro-6-fluorobenzoic Acid 98.0+%, TCI America™
CAS: 434-75-3 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00002417 InChI Key: XNTIGDVFBDJLTQ-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-6-fluoro,unii-euq5bp41s0,euq5bp41s0,2-fluoro-6-chlorobenzoic acid,gnf-pf-2650,2-chloro-6-fluoro-benzoic acid,2-chloro-6-fluorobenzoicacid,pubchem1372,acmc-1ctwn,ksc238i3p PubChem CID: 67947 IUPAC Name: 2-chloro-6-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)F
| PubChem CID | 67947 |
|---|---|
| CAS | 434-75-3 |
| Molecular Weight (g/mol) | 174.555 |
| MDL Number | MFCD00002417 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)O)F |
| Synonym | benzoic acid, 2-chloro-6-fluoro,unii-euq5bp41s0,euq5bp41s0,2-fluoro-6-chlorobenzoic acid,gnf-pf-2650,2-chloro-6-fluoro-benzoic acid,2-chloro-6-fluorobenzoicacid,pubchem1372,acmc-1ctwn,ksc238i3p |
| IUPAC Name | 2-chloro-6-fluorobenzoic acid |
| InChI Key | XNTIGDVFBDJLTQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
4-Phenoxybenzonitrile 98.0+%, TCI America™
CAS: 3096-81-9 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 InChI Key: UYHCIOZMFCLUDP-UHFFFAOYSA-N Synonym: benzonitrile, 4-phenoxy,4-phenoxybenzenecarbonitrile,4-cyanodiphenyl ether,acmc-209hjp,4-phenoxybenzonitrile,ksc497e6d PubChem CID: 137821 IUPAC Name: 4-phenoxybenzonitrile SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N
| PubChem CID | 137821 |
|---|---|
| CAS | 3096-81-9 |
| Molecular Weight (g/mol) | 195.221 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N |
| Synonym | benzonitrile, 4-phenoxy,4-phenoxybenzenecarbonitrile,4-cyanodiphenyl ether,acmc-209hjp,4-phenoxybenzonitrile,ksc497e6d |
| IUPAC Name | 4-phenoxybenzonitrile |
| InChI Key | UYHCIOZMFCLUDP-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO |
1-Phenyl-1,2-propanedione 97.0+%, TCI America™
CAS: 579-07-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00008755 InChI Key: BVQVLAIMHVDZEL-UHFFFAOYSA-N Synonym: 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone PubChem CID: 11363 ChEBI: CHEBI:63552 IUPAC Name: 1-phenylpropane-1,2-dione SMILES: CC(=O)C(=O)C1=CC=CC=C1
| PubChem CID | 11363 |
|---|---|
| CAS | 579-07-7 |
| Molecular Weight (g/mol) | 148.16 |
| ChEBI | CHEBI:63552 |
| MDL Number | MFCD00008755 |
| SMILES | CC(=O)C(=O)C1=CC=CC=C1 |
| Synonym | 1-phenyl-1,2-propanedione,acetylbenzoyl,acetyl benzoyl,benzoylacetyl,methylphenylglyoxal,pyruvophenone,1,2-propanedione, 1-phenyl,phenylmethyldiketone,benzoyl methyl ketone,methyl phenyl diketone |
| IUPAC Name | 1-phenylpropane-1,2-dione |
| InChI Key | BVQVLAIMHVDZEL-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
3,5-Dichloro-2,4-difluoroaniline 94.0+%, TCI America™
CAS: 83121-15-7 Molecular Formula: C6H3Cl2F2N Molecular Weight (g/mol): 197.99 MDL Number: MFCD00044104 InChI Key: KLECNQGLBJHVSH-UHFFFAOYSA-N PubChem CID: 2774000 IUPAC Name: 3,5-dichloro-2,4-difluoroaniline SMILES: NC1=CC(Cl)=C(F)C(Cl)=C1F
| PubChem CID | 2774000 |
|---|---|
| CAS | 83121-15-7 |
| Molecular Weight (g/mol) | 197.99 |
| MDL Number | MFCD00044104 |
| SMILES | NC1=CC(Cl)=C(F)C(Cl)=C1F |
| IUPAC Name | 3,5-dichloro-2,4-difluoroaniline |
| InChI Key | KLECNQGLBJHVSH-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2F2N |
3,5-Diaminobenzoic Acid 98.0+%, TCI America™
CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O
| PubChem CID | 12062 |
|---|---|
| CAS | 535-87-5 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00007807 |
| SMILES | C1=C(C=C(C=C1N)N)C(=O)O |
| Synonym | benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid |
| IUPAC Name | 3,5-diaminobenzoic acid |
| InChI Key | UENRXLSRMCSUSN-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
1,4-Dimethoxy-2-nitrobenzene 99.0+%, TCI America™
CAS: 89-39-4 Molecular Formula: C8H9NO4 Molecular Weight (g/mol): 183.163 MDL Number: MFCD00024211 InChI Key: UPTOWXNJLZJTGD-UHFFFAOYSA-N Synonym: Nitrodimethylhydroquinone, 2-Nitrohydroquinone Dimethyl Ether PubChem CID: 66639 IUPAC Name: 1,4-dimethoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)OC)[N+](=O)[O-]
| PubChem CID | 66639 |
|---|---|
| CAS | 89-39-4 |
| Molecular Weight (g/mol) | 183.163 |
| MDL Number | MFCD00024211 |
| SMILES | COC1=CC(=C(C=C1)OC)[N+](=O)[O-] |
| Synonym | Nitrodimethylhydroquinone, 2-Nitrohydroquinone Dimethyl Ether |
| IUPAC Name | 1,4-dimethoxy-2-nitrobenzene |
| InChI Key | UPTOWXNJLZJTGD-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO4 |
2,4-Difluorobenzoyl Chloride 98.0+%, TCI America™
CAS: 72482-64-5 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.55 MDL Number: MFCD00000658 InChI Key: JSWRVDNTKPAJLB-UHFFFAOYSA-N Synonym: 2,4-difluorobenzoylchloride,benzoyl chloride, 2,4-difluoro,benzoyl chloride,2,4-difluoro,acmc-1bfet,2,4difluorobenzoylchloride,2,4-difluorobezoyl chloride,2,4 difluorobenzoyl chloride,2,4-difluoro benzoylchloride,2,4-difluoro-benzoylchloride,2,4-difluoro-benzoyl chloride PubChem CID: 588081 IUPAC Name: 2,4-difluorobenzoyl chloride SMILES: FC1=CC=C(C(Cl)=O)C(F)=C1
| PubChem CID | 588081 |
|---|---|
| CAS | 72482-64-5 |
| Molecular Weight (g/mol) | 176.55 |
| MDL Number | MFCD00000658 |
| SMILES | FC1=CC=C(C(Cl)=O)C(F)=C1 |
| Synonym | 2,4-difluorobenzoylchloride,benzoyl chloride, 2,4-difluoro,benzoyl chloride,2,4-difluoro,acmc-1bfet,2,4difluorobenzoylchloride,2,4-difluorobezoyl chloride,2,4 difluorobenzoyl chloride,2,4-difluoro benzoylchloride,2,4-difluoro-benzoylchloride,2,4-difluoro-benzoyl chloride |
| IUPAC Name | 2,4-difluorobenzoyl chloride |
| InChI Key | JSWRVDNTKPAJLB-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF2O |
(1,2-Dimethylpropyl)benzene 98.0+%, TCI America™
CAS: 4481-30-5 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.25 MDL Number: MFCD00059213 InChI Key: NQRMTOKLHZNAQH-UHFFFAOYNA-N Synonym: 2-Methyl-3-phenylbutane PubChem CID: 98361 IUPAC Name: (3-methylbutan-2-yl)benzene SMILES: CC(C)C(C)C1=CC=CC=C1
| PubChem CID | 98361 |
|---|---|
| CAS | 4481-30-5 |
| Molecular Weight (g/mol) | 148.25 |
| MDL Number | MFCD00059213 |
| SMILES | CC(C)C(C)C1=CC=CC=C1 |
| Synonym | 2-Methyl-3-phenylbutane |
| IUPAC Name | (3-methylbutan-2-yl)benzene |
| InChI Key | NQRMTOKLHZNAQH-UHFFFAOYNA-N |
| Molecular Formula | C11H16 |
2-(2,4-Dichlorophenoxy)propionic Acid 98.0+%, TCI America™
CAS: 120-36-5 Molecular Formula: C9H8Cl2O3 Molecular Weight (g/mol): 235.06 MDL Number: MFCD00002645 InChI Key: MZHCENGPTKEIGP-UHFFFAOYNA-N Synonym: dichlorprop,2-2,4-dichlorophenoxy propanoic acid,2-2,4-dichlorophenoxy propionic acid,hormatox,polymone,dichloroprop,polytox,kildip,celatox-dp,herbizid dp PubChem CID: 8427 ChEBI: CHEBI:75370 IUPAC Name: 2-(2,4-dichlorophenoxy)propanoic acid SMILES: CC(OC1=CC=C(Cl)C=C1Cl)C(O)=O
| PubChem CID | 8427 |
|---|---|
| CAS | 120-36-5 |
| Molecular Weight (g/mol) | 235.06 |
| ChEBI | CHEBI:75370 |
| MDL Number | MFCD00002645 |
| SMILES | CC(OC1=CC=C(Cl)C=C1Cl)C(O)=O |
| Synonym | dichlorprop,2-2,4-dichlorophenoxy propanoic acid,2-2,4-dichlorophenoxy propionic acid,hormatox,polymone,dichloroprop,polytox,kildip,celatox-dp,herbizid dp |
| IUPAC Name | 2-(2,4-dichlorophenoxy)propanoic acid |
| InChI Key | MZHCENGPTKEIGP-UHFFFAOYNA-N |
| Molecular Formula | C9H8Cl2O3 |
2,2'-Diiodobiphenyl 98.0+%, TCI America™
CAS: 2236-52-4 Molecular Formula: C12H8I2 Molecular Weight (g/mol): 406.005 MDL Number: MFCD00017622 InChI Key: OZVRXSGTNWILMN-UHFFFAOYSA-N PubChem CID: 137510 IUPAC Name: 1-iodo-2-(2-iodophenyl)benzene SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2I)I
| PubChem CID | 137510 |
|---|---|
| CAS | 2236-52-4 |
| Molecular Weight (g/mol) | 406.005 |
| MDL Number | MFCD00017622 |
| SMILES | C1=CC=C(C(=C1)C2=CC=CC=C2I)I |
| IUPAC Name | 1-iodo-2-(2-iodophenyl)benzene |
| InChI Key | OZVRXSGTNWILMN-UHFFFAOYSA-N |
| Molecular Formula | C12H8I2 |
Methyl Diphenylacetate 98.0+%, TCI America™
CAS: 3469-00-9 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.28 MDL Number: MFCD00025869 InChI Key: AORIUCNKPVHMTN-UHFFFAOYSA-N Synonym: methyl diphenylacetate,diphenylacetic acid, methyl ester,acetic acid, diphenyl-, methyl ester,benzeneacetic acid, .alpha.-phenyl-, methyl ester,methyldiphenylacetate,cbmicro_020304,acmc-209i9m,c6h5 2chcooch3,diphenylacetic acid methyl ester PubChem CID: 77019 IUPAC Name: methyl 2,2-diphenylacetate SMILES: COC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 77019 |
|---|---|
| CAS | 3469-00-9 |
| Molecular Weight (g/mol) | 226.28 |
| MDL Number | MFCD00025869 |
| SMILES | COC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methyl diphenylacetate,diphenylacetic acid, methyl ester,acetic acid, diphenyl-, methyl ester,benzeneacetic acid, .alpha.-phenyl-, methyl ester,methyldiphenylacetate,cbmicro_020304,acmc-209i9m,c6h5 2chcooch3,diphenylacetic acid methyl ester |
| IUPAC Name | methyl 2,2-diphenylacetate |
| InChI Key | AORIUCNKPVHMTN-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene 98.0+%, TCI America™
CAS: 14868-03-2 Molecular Formula: C14H10Cl2O2 Molecular Weight (g/mol): 281.13 MDL Number: MFCD00233304 InChI Key: OWEYKIWAZBBXJK-UHFFFAOYSA-N Synonym: 1,1-Bis(4-hydroxyphenyl)-2,2-dichloroethylene, 4,4′C-(2,2-Dichlorovinylidene)bisphenol PubChem CID: 84677 ChEBI: CHEBI:34030 IUPAC Name: 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol SMILES: OC1=CC=C(C=C1)C(=C(Cl)Cl)C1=CC=C(O)C=C1
| PubChem CID | 84677 |
|---|---|
| CAS | 14868-03-2 |
| Molecular Weight (g/mol) | 281.13 |
| ChEBI | CHEBI:34030 |
| MDL Number | MFCD00233304 |
| SMILES | OC1=CC=C(C=C1)C(=C(Cl)Cl)C1=CC=C(O)C=C1 |
| Synonym | 1,1-Bis(4-hydroxyphenyl)-2,2-dichloroethylene, 4,4′C-(2,2-Dichlorovinylidene)bisphenol |
| IUPAC Name | 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol |
| InChI Key | OWEYKIWAZBBXJK-UHFFFAOYSA-N |
| Molecular Formula | C14H10Cl2O2 |