Benzene and substituted derivatives
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1,3-Dibromo-5-nitrobenzene 98.0+%, TCI America™
CAS: 6311-60-0 Molecular Formula: C6H3Br2NO2 Molecular Weight (g/mol): 280.903 MDL Number: MFCD00092529 InChI Key: ZWBHGBWABMAWOV-UHFFFAOYSA-N Synonym: 3,5-Dibromonitrobenzene PubChem CID: 238711 IUPAC Name: 1,3-dibromo-5-nitrobenzene SMILES: C1=C(C=C(C=C1Br)Br)[N+](=O)[O-]
| PubChem CID | 238711 |
|---|---|
| CAS | 6311-60-0 |
| Molecular Weight (g/mol) | 280.903 |
| MDL Number | MFCD00092529 |
| SMILES | C1=C(C=C(C=C1Br)Br)[N+](=O)[O-] |
| Synonym | 3,5-Dibromonitrobenzene |
| IUPAC Name | 1,3-dibromo-5-nitrobenzene |
| InChI Key | ZWBHGBWABMAWOV-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br2NO2 |
trans-4'-(3,4-Difluorophenyl)bicyclohexyl-4-one 98.0+%, TCI America™
CAS: 147622-85-3 Molecular Formula: C18H22F2O Molecular Weight (g/mol): 292.37 InChI Key: IUJMYVYPSSBPCX-UHFFFAOYSA-N PubChem CID: 11493045 IUPAC Name: 4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one SMILES: C1CC(CCC1C2CCC(=O)CC2)C3=CC(=C(C=C3)F)F
| PubChem CID | 11493045 |
|---|---|
| CAS | 147622-85-3 |
| Molecular Weight (g/mol) | 292.37 |
| SMILES | C1CC(CCC1C2CCC(=O)CC2)C3=CC(=C(C=C3)F)F |
| IUPAC Name | 4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one |
| InChI Key | IUJMYVYPSSBPCX-UHFFFAOYSA-N |
| Molecular Formula | C18H22F2O |
4'-Chloro-3-hydroxy-2-naphthanilide 97.0+%, TCI America™
CAS: 92-78-4 Molecular Formula: C17H12ClNO2 Molecular Weight (g/mol): 297.738 MDL Number: MFCD00021639 InChI Key: OHAXNCGNVGGWSO-UHFFFAOYSA-N Synonym: N-(4-Chlorophenyl)-3-hydroxy-2-naphthamide, Naphthol AS-E, Azoic Coupling Component 10 PubChem CID: 66720 IUPAC Name: N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O
| PubChem CID | 66720 |
|---|---|
| CAS | 92-78-4 |
| Molecular Weight (g/mol) | 297.738 |
| MDL Number | MFCD00021639 |
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O |
| Synonym | N-(4-Chlorophenyl)-3-hydroxy-2-naphthamide, Naphthol AS-E, Azoic Coupling Component 10 |
| IUPAC Name | N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide |
| InChI Key | OHAXNCGNVGGWSO-UHFFFAOYSA-N |
| Molecular Formula | C17H12ClNO2 |
Cyclohexyldiphenylphosphine Oxide 98.0+%, TCI America™
CAS: 13689-20-8 Molecular Formula: C18H21OP Molecular Weight (g/mol): 284.34 MDL Number: MFCD00014301 InChI Key: ICVUZKQDJNUMKC-UHFFFAOYSA-N Synonym: cyclohexyldiphenylphosphine oxide,diphenyl cyclohexyl phosphine oxide,cyclohexyldiphenylphosphineoxide,phosphine oxide, cyclohexyldiphenyl,cyclohexyl diphenyl phosphineoxide,acmc-20alcj,diphenylphosphinyl cyclohexane,cyclohexyldiphenylphosphino-1-one,cyclohexyl-phenylphosphoryl benzene,cyclohexyl phenyl phosphoryl benzene PubChem CID: 83664 IUPAC Name: [cyclohexyl(phenyl)phosphoroso]benzene SMILES: O=P(C1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 83664 |
|---|---|
| CAS | 13689-20-8 |
| Molecular Weight (g/mol) | 284.34 |
| MDL Number | MFCD00014301 |
| SMILES | O=P(C1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | cyclohexyldiphenylphosphine oxide,diphenyl cyclohexyl phosphine oxide,cyclohexyldiphenylphosphineoxide,phosphine oxide, cyclohexyldiphenyl,cyclohexyl diphenyl phosphineoxide,acmc-20alcj,diphenylphosphinyl cyclohexane,cyclohexyldiphenylphosphino-1-one,cyclohexyl-phenylphosphoryl benzene,cyclohexyl phenyl phosphoryl benzene |
| IUPAC Name | [cyclohexyl(phenyl)phosphoroso]benzene |
| InChI Key | ICVUZKQDJNUMKC-UHFFFAOYSA-N |
| Molecular Formula | C18H21OP |
2-(4'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™
CAS: 1443049-85-1 Molecular Formula: C27H18ClN3 Molecular Weight (g/mol): 419.912 InChI Key: NOXDCUCUJFTIHW-UHFFFAOYSA-N PubChem CID: 90177143 IUPAC Name: 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
| PubChem CID | 90177143 |
|---|---|
| CAS | 1443049-85-1 |
| Molecular Weight (g/mol) | 419.912 |
| SMILES | C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 |
| IUPAC Name | 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine |
| InChI Key | NOXDCUCUJFTIHW-UHFFFAOYSA-N |
| Molecular Formula | C27H18ClN3 |
4-Chloro-5'-phenyl-1,1':3',1″-terphenyl 98.0+%, TCI America™
CAS: 116941-51-6 Molecular Formula: C24H17Cl Molecular Weight (g/mol): 340.85 InChI Key: FZOIFXXPBLTVIG-UHFFFAOYSA-N Synonym: 5′C-(4-Chlorophenyl)-1,1′C:3′C,1′C′C-terphenyl PubChem CID: 11110599 IUPAC Name: 1-(4-chlorophenyl)-3,5-diphenylbenzene SMILES: C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
| PubChem CID | 11110599 |
|---|---|
| CAS | 116941-51-6 |
| Molecular Weight (g/mol) | 340.85 |
| SMILES | C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
| Synonym | 5′C-(4-Chlorophenyl)-1,1′C:3′C,1′C′C-terphenyl |
| IUPAC Name | 1-(4-chlorophenyl)-3,5-diphenylbenzene |
| InChI Key | FZOIFXXPBLTVIG-UHFFFAOYSA-N |
| Molecular Formula | C24H17Cl |
4-Chloro-1-iodo-2-nitrobenzene 98.0+%, TCI America™
CAS: 5446-05-9 Molecular Formula: C6H3ClINO2 Molecular Weight (g/mol): 283.45 MDL Number: MFCD11226294 InChI Key: ZLQFWQOAQQBLLZ-UHFFFAOYSA-N PubChem CID: 226566 IUPAC Name: 4-chloro-1-iodo-2-nitrobenzene SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])I
| PubChem CID | 226566 |
|---|---|
| CAS | 5446-05-9 |
| Molecular Weight (g/mol) | 283.45 |
| MDL Number | MFCD11226294 |
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])I |
| IUPAC Name | 4-chloro-1-iodo-2-nitrobenzene |
| InChI Key | ZLQFWQOAQQBLLZ-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClINO2 |
Levocetirizine Dihydrochloride 98.0+%, TCI America™
CAS: 130018-87-0 Molecular Formula: C21H27Cl3N2O3 Molecular Weight (g/mol): 461.808 MDL Number: MFCD07366507 InChI Key: PGLIUCLTXOYQMV-GHVWMZMZSA-N Synonym: 2-[2-[4-[(R)-(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]acetic Acid Dihydrochloride PubChem CID: 9955977 IUPAC Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride SMILES: C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
| PubChem CID | 9955977 |
|---|---|
| CAS | 130018-87-0 |
| Molecular Weight (g/mol) | 461.808 |
| MDL Number | MFCD07366507 |
| SMILES | C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl |
| Synonym | 2-[2-[4-[(R)-(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]acetic Acid Dihydrochloride |
| IUPAC Name | 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride |
| InChI Key | PGLIUCLTXOYQMV-GHVWMZMZSA-N |
| Molecular Formula | C21H27Cl3N2O3 |
2-Methoxyphenylhydrazine Hydrochloride 98.0+%, TCI America™
CAS: 6971-45-5 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 MDL Number: MFCD00035456 InChI Key: HECSHXUNOVTAIJ-UHFFFAOYSA-N Synonym: 2-Hydrazinoanisole Hydrochloride PubChem CID: 2849445 IUPAC Name: (2-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=CC=C1NN.Cl
| PubChem CID | 2849445 |
|---|---|
| CAS | 6971-45-5 |
| Molecular Weight (g/mol) | 174.628 |
| MDL Number | MFCD00035456 |
| SMILES | COC1=CC=CC=C1NN.Cl |
| Synonym | 2-Hydrazinoanisole Hydrochloride |
| IUPAC Name | (2-methoxyphenyl)hydrazine;hydrochloride |
| InChI Key | HECSHXUNOVTAIJ-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O |
2,4-Difluorobenzaldehyde 98.0+%, TCI America™
CAS: 1550-35-2 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.11 MDL Number: MFCD00010326 InChI Key: WCGPCBACLBHDCI-UHFFFAOYSA-N Synonym: 2,4-difluoro-benzaldehyde,benzaldehyde, 2,4-difluoro,pubchem2903,2,4difluorobenzaldehyde,acmc-209dbv,2,4-difluorbenzaldehyde,2,4 difluorobenzaldehyde,2.4-difluorobenzaldehyde,2,4-difluoro benzaldehyde,2.4-difluoro benzaldehyde PubChem CID: 73770 IUPAC Name: 2,4-difluorobenzaldehyde SMILES: FC1=CC=C(C=O)C(F)=C1
| PubChem CID | 73770 |
|---|---|
| CAS | 1550-35-2 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00010326 |
| SMILES | FC1=CC=C(C=O)C(F)=C1 |
| Synonym | 2,4-difluoro-benzaldehyde,benzaldehyde, 2,4-difluoro,pubchem2903,2,4difluorobenzaldehyde,acmc-209dbv,2,4-difluorbenzaldehyde,2,4 difluorobenzaldehyde,2.4-difluorobenzaldehyde,2,4-difluoro benzaldehyde,2.4-difluoro benzaldehyde |
| IUPAC Name | 2,4-difluorobenzaldehyde |
| InChI Key | WCGPCBACLBHDCI-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O |
4-(Diphenylphosphino)benzoic Acid 97.0+%, TCI America™
CAS: 2129-31-9 Molecular Formula: C19H15O2P Molecular Weight (g/mol): 306.30 MDL Number: MFCD00407264 InChI Key: GXMHDTPYKRTARV-UHFFFAOYSA-N Synonym: 4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine PubChem CID: 627824 IUPAC Name: 4-(diphenylphosphanyl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 627824 |
|---|---|
| CAS | 2129-31-9 |
| Molecular Weight (g/mol) | 306.30 |
| MDL Number | MFCD00407264 |
| SMILES | OC(=O)C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 4-diphenylphosphino benzoic acid,benzoic acid, 4-diphenylphosphino,4-diphenylphosphanyl-benzoic acid,diphenyl p-carboxyphenyl phosphine,4-diphenylphosphanyl benzoic acid,4-diphenylphosphanyl-benzoesaeure,acmc-209fit,4-diphenylphosphino benzoicacid,p-diphenylphosphino benzoic acid,4-carboxyphenyl diphenylphosphine |
| IUPAC Name | 4-(diphenylphosphanyl)benzoic acid |
| InChI Key | GXMHDTPYKRTARV-UHFFFAOYSA-N |
| Molecular Formula | C19H15O2P |
| PubChem CID | 3613184 |
|---|---|
| CAS | 380430-49-9 |
| MDL Number | MFCD02093054 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| InChI Key | UBVOLHQIEQVXGM-UHFFFAOYSA-N |
| Molecular Formula | C11H16BNO4 |
| Formula Weight | 237.06 |
| Melting Point | 204°C |
Phenylurethane 99.0+%, TCI America™
CAS: 101-99-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00026806 InChI Key: LBKPGNUOUPTQKA-UHFFFAOYSA-N Synonym: n-phenylurethane,phenylurethane,ethyl phenylcarbamate,phenylurethan,ethyl carbanilate,euphorin,keimstop,urethane, phenyl,carbanilic acid, ethyl ester,phenylethyl carbamate PubChem CID: 7591 IUPAC Name: ethyl N-phenylcarbamate SMILES: CCOC(=O)NC1=CC=CC=C1
| PubChem CID | 7591 |
|---|---|
| CAS | 101-99-5 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00026806 |
| SMILES | CCOC(=O)NC1=CC=CC=C1 |
| Synonym | n-phenylurethane,phenylurethane,ethyl phenylcarbamate,phenylurethan,ethyl carbanilate,euphorin,keimstop,urethane, phenyl,carbanilic acid, ethyl ester,phenylethyl carbamate |
| IUPAC Name | ethyl N-phenylcarbamate |
| InChI Key | LBKPGNUOUPTQKA-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
N2-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine 98.0+%, TCI America™
CAS: 362670-07-3 Molecular Formula: C11H15FN2O2 Molecular Weight (g/mol): 226.25 MDL Number: MFCD07787180 InChI Key: FELBQUPQCJZQQX-UHFFFAOYSA-N Synonym: N2-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-5-fluorophenyl)carbamate, (2-Amino-5-fluorophenyl)carbamic Acid tert-Butyl Ester PubChem CID: 53420357 IUPAC Name: tert-butyl N-(2-amino-5-fluorophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=C(N)C=CC(F)=C1
| PubChem CID | 53420357 |
|---|---|
| CAS | 362670-07-3 |
| Molecular Weight (g/mol) | 226.25 |
| MDL Number | MFCD07787180 |
| SMILES | CC(C)(C)OC(=O)NC1=C(N)C=CC(F)=C1 |
| Synonym | N2-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-5-fluorophenyl)carbamate, (2-Amino-5-fluorophenyl)carbamic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl N-(2-amino-5-fluorophenyl)carbamate |
| InChI Key | FELBQUPQCJZQQX-UHFFFAOYSA-N |
| Molecular Formula | C11H15FN2O2 |
N1-(tert-Butoxycarbonyl)-4-fluoro-1,2-phenylenediamine 98.0+%, TCI America™
CAS: 579474-47-8 Molecular Formula: C11H15FN2O2 Molecular Weight (g/mol): 226.25 MDL Number: MFCD09701246 InChI Key: IBKSOWUYKOORFF-UHFFFAOYSA-N Synonym: N1-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-4-fluorophenyl)carbamate, (2-Amino-4-fluorophenyl)carbamic Acid tert-Butyl Ester PubChem CID: 24688763 IUPAC Name: tert-butyl N-(2-amino-4-fluorophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=C(N)C=C(F)C=C1
| PubChem CID | 24688763 |
|---|---|
| CAS | 579474-47-8 |
| Molecular Weight (g/mol) | 226.25 |
| MDL Number | MFCD09701246 |
| SMILES | CC(C)(C)OC(=O)NC1=C(N)C=C(F)C=C1 |
| Synonym | N1-Boc-4-fluoro-1,2-phenylenediamine, tert-Butyl (2-Amino-4-fluorophenyl)carbamate, (2-Amino-4-fluorophenyl)carbamic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl N-(2-amino-4-fluorophenyl)carbamate |
| InChI Key | IBKSOWUYKOORFF-UHFFFAOYSA-N |
| Molecular Formula | C11H15FN2O2 |