Benzene and substituted derivatives
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2-Bromobenzotrifluoride, 99%, Thermo Scientific Chemicals
CAS: 392-83-6 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00000373 InChI Key: RWXUNIMBRXGNEP-UHFFFAOYSA-N Synonym: 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech PubChem CID: 9806 IUPAC Name: 1-bromo-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)Br
| PubChem CID | 9806 |
|---|---|
| CAS | 392-83-6 |
| Molecular Weight (g/mol) | 225.01 |
| MDL Number | MFCD00000373 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)Br |
| Synonym | 2-bromobenzotrifluoride,1-bromo-2-trifluoromethyl benzene,o-bromobenzotrifluoride,benzene, 1-bromo-2-trifluoromethyl,2-bromo-alpha,alpha,alpha-trifluorotoluene,2-brombenzotrifluorid,o-bromobenzyltrifluoride,o-trifluoromethyl bromobenzene,2-bromotrifluorotoluene,2-brombenzotrifluorid czech |
| IUPAC Name | 1-bromo-2-(trifluoromethyl)benzene |
| InChI Key | RWXUNIMBRXGNEP-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3 |
2,5-Dichloroanisole, 98%
CAS: 1984-58-3 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00061123 InChI Key: QKMNFFSBZRGHDJ-UHFFFAOYSA-N Synonym: 2,5-dichloroanisole,benzene, 1,4-dichloro-2-methoxy,2,5-dichloromethoxybenzene,banair,anisole, 2,5-dichloro,unii-8b3j0y3cj1,2,5-dichloroanizole,pubchem3681,dsstox_cid_7452 PubChem CID: 16125 IUPAC Name: 1,4-dichloro-2-methoxybenzene SMILES: COC1=CC(Cl)=CC=C1Cl
| PubChem CID | 16125 |
|---|---|
| CAS | 1984-58-3 |
| Molecular Weight (g/mol) | 177.02 |
| MDL Number | MFCD00061123 |
| SMILES | COC1=CC(Cl)=CC=C1Cl |
| Synonym | 2,5-dichloroanisole,benzene, 1,4-dichloro-2-methoxy,2,5-dichloromethoxybenzene,banair,anisole, 2,5-dichloro,unii-8b3j0y3cj1,2,5-dichloroanizole,pubchem3681,dsstox_cid_7452 |
| IUPAC Name | 1,4-dichloro-2-methoxybenzene |
| InChI Key | QKMNFFSBZRGHDJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2O |
4-Bromo-3-methoxyaniline, 97+%
CAS: 19056-40-7 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.05 MDL Number: MFCD05664063 InChI Key: RUTNWXBHRAIQSP-UHFFFAOYSA-N Synonym: 5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794 PubChem CID: 7018254 IUPAC Name: 4-bromo-3-methoxyaniline SMILES: COC1=C(Br)C=CC(N)=C1
| PubChem CID | 7018254 |
|---|---|
| CAS | 19056-40-7 |
| Molecular Weight (g/mol) | 202.05 |
| MDL Number | MFCD05664063 |
| SMILES | COC1=C(Br)C=CC(N)=C1 |
| Synonym | 5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794 |
| IUPAC Name | 4-bromo-3-methoxyaniline |
| InChI Key | RUTNWXBHRAIQSP-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrNO |
Tetrakis(triphenylphosphine)nickel(0), 95%
CAS: 15133-82-1 Molecular Formula: C72H60NiP4 Molecular Weight (g/mol): 1107.86 MDL Number: MFCD00010011 InChI Key: KFBKRCXOTTUAFS-UHFFFAOYSA-N Synonym: ni pph3 4,tetrakis triphenylphosphine nickel,tetrakis triphenylphosphine nickel 0,nickel-tetrakis triphenylphosphine,tetrakis triphenylphosphine nickel 0 , ni 4-7 % approx. PubChem CID: 11979963 IUPAC Name: nickel;triphenylphosphane SMILES: [Ni].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11979963 |
|---|---|
| CAS | 15133-82-1 |
| Molecular Weight (g/mol) | 1107.86 |
| MDL Number | MFCD00010011 |
| SMILES | [Ni].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | ni pph3 4,tetrakis triphenylphosphine nickel,tetrakis triphenylphosphine nickel 0,nickel-tetrakis triphenylphosphine,tetrakis triphenylphosphine nickel 0 , ni 4-7 % approx. |
| IUPAC Name | nickel;triphenylphosphane |
| InChI Key | KFBKRCXOTTUAFS-UHFFFAOYSA-N |
| Molecular Formula | C72H60NiP4 |
(R)-(+)-1-Phenylpropylamine, ChiPros 99+%, ee 98%
CAS: 3082-64-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00083057 InChI Key: AQFLVLHRZFLDDV-SECBINFHSA-N Synonym: r-+-1-phenylpropylamine,r-1-phenylpropan-1-amine,1r-1-phenylpropan-1-amine,r-1-phenylpropylamine,r-+-alpha-ethylbenzylamine,1r-1-phenylpropylamine,r-+-methylbenzylamine,r-+-1-amino-1-phenylpropane,r +-a-ethylbenzylamine,r-+-,a-ethylbenzylamine PubChem CID: 5324978 IUPAC Name: (1R)-1-phenylpropan-1-amine SMILES: CCC(C1=CC=CC=C1)N
| PubChem CID | 5324978 |
|---|---|
| CAS | 3082-64-2 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00083057 |
| SMILES | CCC(C1=CC=CC=C1)N |
| Synonym | r-+-1-phenylpropylamine,r-1-phenylpropan-1-amine,1r-1-phenylpropan-1-amine,r-1-phenylpropylamine,r-+-alpha-ethylbenzylamine,1r-1-phenylpropylamine,r-+-methylbenzylamine,r-+-1-amino-1-phenylpropane,r +-a-ethylbenzylamine,r-+-,a-ethylbenzylamine |
| IUPAC Name | (1R)-1-phenylpropan-1-amine |
| InChI Key | AQFLVLHRZFLDDV-SECBINFHSA-N |
| Molecular Formula | C9H13N |
(3-Thien-2-ylphenyl)methylamine, ≥97%, Thermo Scientific™
CAS: 859850-86-5 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 MDL Number: MFCD08435868 InChI Key: PZXHYHVAVDOMOR-UHFFFAOYSA-N Synonym: 3-thien-2-ylphenyl methylamine,3-thiophen-2-yl phenyl methanamine,1-3-thiophen-2-yl phenyl methanamine,3-thiophen-2-yl-benzylamine,3-2-thienyl phenyl methylamine,benzenemethanamine,3-2-thienyl PubChem CID: 18525771 IUPAC Name: (3-thiophen-2-ylphenyl)methanamine SMILES: C1=CC(=CC(=C1)CN)C2=CC=CS2
| PubChem CID | 18525771 |
|---|---|
| CAS | 859850-86-5 |
| Molecular Weight (g/mol) | 189.276 |
| MDL Number | MFCD08435868 |
| SMILES | C1=CC(=CC(=C1)CN)C2=CC=CS2 |
| Synonym | 3-thien-2-ylphenyl methylamine,3-thiophen-2-yl phenyl methanamine,1-3-thiophen-2-yl phenyl methanamine,3-thiophen-2-yl-benzylamine,3-2-thienyl phenyl methylamine,benzenemethanamine,3-2-thienyl |
| IUPAC Name | (3-thiophen-2-ylphenyl)methanamine |
| InChI Key | PZXHYHVAVDOMOR-UHFFFAOYSA-N |
| Molecular Formula | C11H11NS |
Benzoyl isothiocyanate, 98%
CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S
| PubChem CID | 68284 |
|---|---|
| CAS | 532-55-8 |
| Molecular Weight (g/mol) | 163.194 |
| MDL Number | MFCD00004815 |
| SMILES | C1=CC=C(C=C1)C(=O)N=C=S |
| Synonym | benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone |
| IUPAC Name | benzoyl isothiocyanate |
| InChI Key | CPEKAXYCDKETEN-UHFFFAOYSA-N |
| Molecular Formula | C8H5NOS |
2-Benzoylbenzoic Acid, 98+%
CAS: 85-52-9 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002472 InChI Key: FGTYTUFKXYPTML-UHFFFAOYSA-N Synonym: o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid PubChem CID: 6813 IUPAC Name: 2-benzoylbenzoic acid SMILES: OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1
| PubChem CID | 6813 |
|---|---|
| CAS | 85-52-9 |
| Molecular Weight (g/mol) | 226.23 |
| MDL Number | MFCD00002472 |
| SMILES | OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1 |
| Synonym | o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid |
| IUPAC Name | 2-benzoylbenzoic acid |
| InChI Key | FGTYTUFKXYPTML-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
2-Iodo-4-(trifluoromethyl)aniline, 99%
CAS: 163444-17-5 Molecular Formula: C7H5F3IN Molecular Weight (g/mol): 287.02 MDL Number: MFCD02683097 InChI Key: UKKWTZPXYIYONW-UHFFFAOYSA-N Synonym: 4-amino-3-iodobenzotrifluoride,2-iodo-4-trifluoromethyl aniline,4-trifluoromethyl-2-iodobenzenamine,benzenamine, 2-iodo-4-trifluoromethyl,2-iodo-4-trifluoromethyl benzenamine,pubchem1632,acmc-209dpp,intermediates-zcf02228,ksc910s3b,3-iodo-4-aminobenzotrifluoride PubChem CID: 2783322 IUPAC Name: 2-iodo-4-(trifluoromethyl)aniline SMILES: NC1=C(I)C=C(C=C1)C(F)(F)F
| PubChem CID | 2783322 |
|---|---|
| CAS | 163444-17-5 |
| Molecular Weight (g/mol) | 287.02 |
| MDL Number | MFCD02683097 |
| SMILES | NC1=C(I)C=C(C=C1)C(F)(F)F |
| Synonym | 4-amino-3-iodobenzotrifluoride,2-iodo-4-trifluoromethyl aniline,4-trifluoromethyl-2-iodobenzenamine,benzenamine, 2-iodo-4-trifluoromethyl,2-iodo-4-trifluoromethyl benzenamine,pubchem1632,acmc-209dpp,intermediates-zcf02228,ksc910s3b,3-iodo-4-aminobenzotrifluoride |
| IUPAC Name | 2-iodo-4-(trifluoromethyl)aniline |
| InChI Key | UKKWTZPXYIYONW-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3IN |
4-Cyano-4″-n-pentyl-p-terphenyl, 99%
CAS: 54211-46-0 Molecular Formula: C24H23N Molecular Weight (g/mol): 325.455 MDL Number: MFCD00799423 InChI Key: AITQOXOBSMXBRV-UHFFFAOYSA-N Synonym: 4-pentyl-1,1':4',1-terphenyl-4-carbonitrile,4-cyano-4-n-pentyl-p-terphenyl,4-cyano-4-pentyl-p-terphenyl,1,1':4',1-terphenyl-4-carbonitrile, 4-pentyl,4-4-4-pentylphenyl phenyl benzonitrile,pubchem9116,4-pentyl-p-terphenyl-4-carbonitrile,4-cyano-4'-pentyl-p-terphenyl PubChem CID: 104707 IUPAC Name: 4-[4-(4-pentylphenyl)phenyl]benzonitrile SMILES: CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
| PubChem CID | 104707 |
|---|---|
| CAS | 54211-46-0 |
| Molecular Weight (g/mol) | 325.455 |
| MDL Number | MFCD00799423 |
| SMILES | CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
| Synonym | 4-pentyl-1,1':4',1-terphenyl-4-carbonitrile,4-cyano-4-n-pentyl-p-terphenyl,4-cyano-4-pentyl-p-terphenyl,1,1':4',1-terphenyl-4-carbonitrile, 4-pentyl,4-4-4-pentylphenyl phenyl benzonitrile,pubchem9116,4-pentyl-p-terphenyl-4-carbonitrile,4-cyano-4'-pentyl-p-terphenyl |
| IUPAC Name | 4-[4-(4-pentylphenyl)phenyl]benzonitrile |
| InChI Key | AITQOXOBSMXBRV-UHFFFAOYSA-N |
| Molecular Formula | C24H23N |
2-Bromobenzaldehyde, 98%
CAS: 6630-33-7 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003300 InChI Key: NDOPHXWIAZIXPR-UHFFFAOYSA-N Synonym: o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo PubChem CID: 81129 IUPAC Name: 2-bromobenzaldehyde SMILES: BrC1=CC=CC=C1C=O
| PubChem CID | 81129 |
|---|---|
| CAS | 6630-33-7 |
| Molecular Weight (g/mol) | 185.02 |
| MDL Number | MFCD00003300 |
| SMILES | BrC1=CC=CC=C1C=O |
| Synonym | o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo |
| IUPAC Name | 2-bromobenzaldehyde |
| InChI Key | NDOPHXWIAZIXPR-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO |
[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]methanol, 97%, Thermo Scientific™
CAS: 857283-96-6 Molecular Formula: C11H11NOS Molecular Weight (g/mol): 205.275 MDL Number: MFCD07772836 InChI Key: RJHSPNFHEAFWDW-UHFFFAOYSA-N Synonym: 4-2-methyl-1,3-thiazol-4-yl phenyl methanol,4-2-methylthiazol-4-yl phenyl methanol,benzenemethanol,4-2-methyl-4-thiazolyl,4-2-methyl-1,3-thiazol-4-yl phenyl methan-1-ol PubChem CID: 7164608 IUPAC Name: [4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanol SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)CO
| PubChem CID | 7164608 |
|---|---|
| CAS | 857283-96-6 |
| Molecular Weight (g/mol) | 205.275 |
| MDL Number | MFCD07772836 |
| SMILES | CC1=NC(=CS1)C2=CC=C(C=C2)CO |
| Synonym | 4-2-methyl-1,3-thiazol-4-yl phenyl methanol,4-2-methylthiazol-4-yl phenyl methanol,benzenemethanol,4-2-methyl-4-thiazolyl,4-2-methyl-1,3-thiazol-4-yl phenyl methan-1-ol |
| IUPAC Name | [4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanol |
| InChI Key | RJHSPNFHEAFWDW-UHFFFAOYSA-N |
| Molecular Formula | C11H11NOS |
3-Formylphenylboronic acid, 97%
CAS: 87199-16-4 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00161356 InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N Synonym: 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid PubChem CID: 2734356 IUPAC Name: (3-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC(C=O)=C1
| PubChem CID | 2734356 |
|---|---|
| CAS | 87199-16-4 |
| Molecular Weight (g/mol) | 149.94 |
| MDL Number | MFCD00161356 |
| SMILES | OB(O)C1=CC=CC(C=O)=C1 |
| Synonym | 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid |
| IUPAC Name | (3-formylphenyl)boronic acid |
| InChI Key | HJBGZJMKTOMQRR-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO3 |
1-Iodo-4-isopropylbenzene, 97%
CAS: 17356-09-1 Molecular Formula: C9H11I Molecular Weight (g/mol): 246.091 MDL Number: MFCD00013711 InChI Key: PQJOSEVTIKYWLH-UHFFFAOYSA-N Synonym: 1-iodo-4-isopropylbenzene,p-iodocumene,4-iodoisopropylbenzene,2-4'-iodophenyl propane,4-iodocumene,p-iodoisopropylbenzene,1-iodo-4-propan-2-yl benzene,4-isopropyliodobenzene,benzene,1-iodo-4-1-methylethyl,benzene, 1-iodo-4-1-methylethyl PubChem CID: 87073 IUPAC Name: 1-iodo-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(C=C1)I
| PubChem CID | 87073 |
|---|---|
| CAS | 17356-09-1 |
| Molecular Weight (g/mol) | 246.091 |
| MDL Number | MFCD00013711 |
| SMILES | CC(C)C1=CC=C(C=C1)I |
| Synonym | 1-iodo-4-isopropylbenzene,p-iodocumene,4-iodoisopropylbenzene,2-4'-iodophenyl propane,4-iodocumene,p-iodoisopropylbenzene,1-iodo-4-propan-2-yl benzene,4-isopropyliodobenzene,benzene,1-iodo-4-1-methylethyl,benzene, 1-iodo-4-1-methylethyl |
| IUPAC Name | 1-iodo-4-propan-2-ylbenzene |
| InChI Key | PQJOSEVTIKYWLH-UHFFFAOYSA-N |
| Molecular Formula | C9H11I |
Methyltriphenylphosphonium Iodide, Spectrum™ Chemical
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CAS: 2065-66-9
| CAS | 2065-66-9 |
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