Benzenoids
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1-Bromo-4-isopropylbenzene, 97%
CAS: 586-61-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.09 MDL Number: MFCD00039159 InChI Key: MOZHUOIQYVYEPN-UHFFFAOYSA-N Synonym: 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane PubChem CID: 11462 IUPAC Name: 1-bromo-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(Br)C=C1
| PubChem CID | 11462 |
|---|---|
| CAS | 586-61-8 |
| Molecular Weight (g/mol) | 199.09 |
| MDL Number | MFCD00039159 |
| SMILES | CC(C)C1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-isopropylbenzene,4-bromocumene,4-bromoisopropylbenzene,p-bromocumene,4-isopropylbromobenzene,benzene, 1-bromo-4-1-methylethyl,p-bromoisopropylbenzene,2-p-bromophenyl propane,cumene, p-bromo,2-4-bromophenyl propane |
| IUPAC Name | 1-bromo-4-propan-2-ylbenzene |
| InChI Key | MOZHUOIQYVYEPN-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
(3-Pyrimidin-2-ylphenyl)methanol, 97%, Thermo Scientific™
CAS: 892502-12-4 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD09064977 InChI Key: WMNXGJMCXOLBBV-UHFFFAOYSA-N Synonym: 3-pyrimidin-2-ylphenyl methanol,3-pyrimidin-2-yl phenyl methanol,benzenemethanol,3-2-pyrimidinyl,3-pyrimidin-2-yl-benzyl alcohol,benzenemethanol, 3-2-pyrimidinyl,3-pyrimidin-2-ylphenyl methan-1-ol PubChem CID: 24229565 SMILES: OCC1=CC=CC(=C1)C1=NC=CC=N1
| PubChem CID | 24229565 |
|---|---|
| CAS | 892502-12-4 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD09064977 |
| SMILES | OCC1=CC=CC(=C1)C1=NC=CC=N1 |
| Synonym | 3-pyrimidin-2-ylphenyl methanol,3-pyrimidin-2-yl phenyl methanol,benzenemethanol,3-2-pyrimidinyl,3-pyrimidin-2-yl-benzyl alcohol,benzenemethanol, 3-2-pyrimidinyl,3-pyrimidin-2-ylphenyl methan-1-ol |
| InChI Key | WMNXGJMCXOLBBV-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
2,4-Dichloro-6-methylaniline, 97%
CAS: 30273-00-8 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00044074 InChI Key: UAISVUGQLKXPFF-UHFFFAOYSA-N Synonym: 4,6-dichloro-2-methylaniline,benzenamine, 2,4-dichloro-6-methyl,acmc-20aodo,4,6-dichloro-o-toluidine,2-amino-3,5-dichlorotoluene,2,4-dichloro-6-methylphenylamine,4,6-dichloro-2-methylphenylamine,2,4-bis chloranyl-6-methyl-aniline,2,4-dichloro-6-methylaniline PubChem CID: 1268287 IUPAC Name: 2,4-dichloro-6-methylaniline SMILES: CC1=CC(=CC(=C1N)Cl)Cl
| PubChem CID | 1268287 |
|---|---|
| CAS | 30273-00-8 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00044074 |
| SMILES | CC1=CC(=CC(=C1N)Cl)Cl |
| Synonym | 4,6-dichloro-2-methylaniline,benzenamine, 2,4-dichloro-6-methyl,acmc-20aodo,4,6-dichloro-o-toluidine,2-amino-3,5-dichlorotoluene,2,4-dichloro-6-methylphenylamine,4,6-dichloro-2-methylphenylamine,2,4-bis chloranyl-6-methyl-aniline,2,4-dichloro-6-methylaniline |
| IUPAC Name | 2,4-dichloro-6-methylaniline |
| InChI Key | UAISVUGQLKXPFF-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
3-Nitrobenzaldehyde, Spectrum™ Chemical
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CAS: 99-61-6
| CAS | 99-61-6 |
|---|
3-Bromo-4-fluorobenzaldehyde, 98%
CAS: 77771-02-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00042186 InChI Key: FAHZIKXYYRGSHF-UHFFFAOYSA-N Synonym: 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde PubChem CID: 173604 IUPAC Name: 3-bromo-4-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Br)F
| PubChem CID | 173604 |
|---|---|
| CAS | 77771-02-9 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00042186 |
| SMILES | C1=CC(=C(C=C1C=O)Br)F |
| Synonym | 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde |
| IUPAC Name | 3-bromo-4-fluorobenzaldehyde |
| InChI Key | FAHZIKXYYRGSHF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
5-(4-Iodophenyl)isoxazole, 97%, Thermo Scientific™
CAS: 160377-48-0 Molecular Formula: C9H6INO Molecular Weight (g/mol): 271.057 MDL Number: MFCD02681898 InChI Key: TYNWYXFACGRXMG-UHFFFAOYSA-N Synonym: 5-4-iodophenyl isoxazole,5-4-iodophenyl-1,2-oxazole,isoxazole,5-4-iodophenyl PubChem CID: 2776370 IUPAC Name: 5-(4-iodophenyl)-1,2-oxazole SMILES: C1=CC(=CC=C1C2=CC=NO2)I
| PubChem CID | 2776370 |
|---|---|
| CAS | 160377-48-0 |
| Molecular Weight (g/mol) | 271.057 |
| MDL Number | MFCD02681898 |
| SMILES | C1=CC(=CC=C1C2=CC=NO2)I |
| Synonym | 5-4-iodophenyl isoxazole,5-4-iodophenyl-1,2-oxazole,isoxazole,5-4-iodophenyl |
| IUPAC Name | 5-(4-iodophenyl)-1,2-oxazole |
| InChI Key | TYNWYXFACGRXMG-UHFFFAOYSA-N |
| Molecular Formula | C9H6INO |
4,5-Dibromoveratrole, 98+%
CAS: 37895-73-1 Molecular Formula: C8H8Br2O2 Molecular Weight (g/mol): 295.958 MDL Number: MFCD00014894 InChI Key: ZYCLQXMMFJREPJ-UHFFFAOYSA-N Synonym: 4,5-dibromoveratrole,4,5-dibromoveratrol,benzene, 1,2-dibromo-4,5-dimethoxy,acmc-1aeu5,amth147,1.2-dibromo-4.5-dimethoxy-benzene,1,2-bis bromanyl-4,5-dimethoxy-benzene PubChem CID: 2758033 IUPAC Name: 1,2-dibromo-4,5-dimethoxybenzene SMILES: COC1=CC(=C(C=C1OC)Br)Br
| PubChem CID | 2758033 |
|---|---|
| CAS | 37895-73-1 |
| Molecular Weight (g/mol) | 295.958 |
| MDL Number | MFCD00014894 |
| SMILES | COC1=CC(=C(C=C1OC)Br)Br |
| Synonym | 4,5-dibromoveratrole,4,5-dibromoveratrol,benzene, 1,2-dibromo-4,5-dimethoxy,acmc-1aeu5,amth147,1.2-dibromo-4.5-dimethoxy-benzene,1,2-bis bromanyl-4,5-dimethoxy-benzene |
| IUPAC Name | 1,2-dibromo-4,5-dimethoxybenzene |
| InChI Key | ZYCLQXMMFJREPJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2O2 |
3,5-Dimethoxybenzylamine, 98%
CAS: 34967-24-3 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052813 InChI Key: YGZJTYCCONJJGZ-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzylamine,3,5-dimethoxybenzyl amine,3,5-dimethoxyphenyl methanamine,1-3,5-dimethoxyphenyl methanamine,3,5-dimethoxy benzyl amine,3,5-dimethoxyphenyl methylamine,benzenemethanamine, 3,5-dimethoxy,pubchem7393,3,5-dimethoxy benzylamine,3,5-dimethoxy-benzylamine PubChem CID: 420973 IUPAC Name: (3,5-dimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1)CN)OC
| PubChem CID | 420973 |
|---|---|
| CAS | 34967-24-3 |
| Molecular Weight (g/mol) | 167.208 |
| MDL Number | MFCD00052813 |
| SMILES | COC1=CC(=CC(=C1)CN)OC |
| Synonym | 3,5-dimethoxybenzylamine,3,5-dimethoxybenzyl amine,3,5-dimethoxyphenyl methanamine,1-3,5-dimethoxyphenyl methanamine,3,5-dimethoxy benzyl amine,3,5-dimethoxyphenyl methylamine,benzenemethanamine, 3,5-dimethoxy,pubchem7393,3,5-dimethoxy benzylamine,3,5-dimethoxy-benzylamine |
| IUPAC Name | (3,5-dimethoxyphenyl)methanamine |
| InChI Key | YGZJTYCCONJJGZ-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |
2-(Trifluoromethyl)phenylhydrazine hydrochloride, 98%
CAS: 3107-34-4 Molecular Formula: C7H8ClF3N2 Molecular Weight (g/mol): 212.6 MDL Number: MFCD00102619 InChI Key: ZUSWDTWYONAOPH-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenylhydrazine hydrochloride,2-trifluoromethyl phenylhydrazine hcl,2-hydrazinobenzotrifluoride hcl,2-hydrazinobenzotrifluoride hydrochloride,2-trifluoromethyl phenyl hydrazine hydrochloride,2-trifluoromethyl phenylhydrazine monohydrochloride,1-2-trifluoromethyl phenyl hydrazine hydrochloride,n'-2-trifluoromethyl-phenyl-hydrazinium, chloride,2-trifluoromethylphenylhydrazine hydrochloride PubChem CID: 12891828 IUPAC Name: [2-(trifluoromethyl)phenyl]hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)C(F)(F)F)NN.Cl
| PubChem CID | 12891828 |
|---|---|
| CAS | 3107-34-4 |
| Molecular Weight (g/mol) | 212.6 |
| MDL Number | MFCD00102619 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NN.Cl |
| Synonym | 2-trifluoromethyl phenylhydrazine hydrochloride,2-trifluoromethyl phenylhydrazine hcl,2-hydrazinobenzotrifluoride hcl,2-hydrazinobenzotrifluoride hydrochloride,2-trifluoromethyl phenyl hydrazine hydrochloride,2-trifluoromethyl phenylhydrazine monohydrochloride,1-2-trifluoromethyl phenyl hydrazine hydrochloride,n'-2-trifluoromethyl-phenyl-hydrazinium, chloride,2-trifluoromethylphenylhydrazine hydrochloride |
| IUPAC Name | [2-(trifluoromethyl)phenyl]hydrazine;hydrochloride |
| InChI Key | ZUSWDTWYONAOPH-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClF3N2 |
3,4-Difluorobenzoyl chloride, 98%
CAS: 76903-88-3 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.55 MDL Number: MFCD00009930 InChI Key: RPQWXGVZELKOEU-UHFFFAOYSA-N Synonym: 3,4-difluorobenzoylchloride,benzoyl chloride, 3,4-difluoro,3,4-difluoro benzoyl chloride,pubchem14796,acmc-209p6r,3,4 difluorobenzoylchloride,3,4-diflorobenzoyl chloride,3,4-difluorobezoyl chloride,3,4-diflourobenzoyl chloride,ksc494e2f PubChem CID: 2724519 IUPAC Name: 3,4-difluorobenzoyl chloride SMILES: FC1=CC=C(C=C1F)C(Cl)=O
| PubChem CID | 2724519 |
|---|---|
| CAS | 76903-88-3 |
| Molecular Weight (g/mol) | 176.55 |
| MDL Number | MFCD00009930 |
| SMILES | FC1=CC=C(C=C1F)C(Cl)=O |
| Synonym | 3,4-difluorobenzoylchloride,benzoyl chloride, 3,4-difluoro,3,4-difluoro benzoyl chloride,pubchem14796,acmc-209p6r,3,4 difluorobenzoylchloride,3,4-diflorobenzoyl chloride,3,4-difluorobezoyl chloride,3,4-diflourobenzoyl chloride,ksc494e2f |
| IUPAC Name | 3,4-difluorobenzoyl chloride |
| InChI Key | RPQWXGVZELKOEU-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF2O |
2,4,6-Trichlorobenzoyl chloride, 98%
CAS: 4136-95-2 Molecular Formula: C7H2Cl4O Molecular Weight (g/mol): 243.89 MDL Number: MFCD00075323 InChI Key: OZGSEIVTQLXWRO-UHFFFAOYSA-N Synonym: 2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride PubChem CID: 2733703 IUPAC Name: 2,4,6-trichlorobenzoyl chloride SMILES: ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl
| PubChem CID | 2733703 |
|---|---|
| CAS | 4136-95-2 |
| Molecular Weight (g/mol) | 243.89 |
| MDL Number | MFCD00075323 |
| SMILES | ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl |
| Synonym | 2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride |
| IUPAC Name | 2,4,6-trichlorobenzoyl chloride |
| InChI Key | OZGSEIVTQLXWRO-UHFFFAOYSA-N |
| Molecular Formula | C7H2Cl4O |
[Bis(trifluoroacetoxy)iodo]benzene, 97%
CAS: 2712-78-9 Molecular Formula: C10H5F6IO4 Molecular Weight (g/mol): 430.041 MDL Number: MFCD00009672 InChI Key: PEZNEXFPRSOYPL-UHFFFAOYSA-N Synonym: bis trifluoroacetoxy iodo benzene,pifa,unii-659sfv27xs,bis-trifluoroacetoxyiodobenzene,phenylbis trifluoroacetato-o iodine,bis i,i-trifluoroacetoxy iodobenzene,iodine, phenylbis trifluoroacetato-o,bis trifluoracetoxy-iodobenzene,bis trifluoroacetoxy phenyl iodane PubChem CID: 102317 IUPAC Name: [phenyl-(2,2,2-trifluoroacetyl)oxy-$l^{3}-iodanyl] 2,2,2-trifluoroacetate SMILES: C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
| PubChem CID | 102317 |
|---|---|
| CAS | 2712-78-9 |
| Molecular Weight (g/mol) | 430.041 |
| MDL Number | MFCD00009672 |
| SMILES | C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F |
| Synonym | bis trifluoroacetoxy iodo benzene,pifa,unii-659sfv27xs,bis-trifluoroacetoxyiodobenzene,phenylbis trifluoroacetato-o iodine,bis i,i-trifluoroacetoxy iodobenzene,iodine, phenylbis trifluoroacetato-o,bis trifluoracetoxy-iodobenzene,bis trifluoroacetoxy phenyl iodane |
| IUPAC Name | [phenyl-(2,2,2-trifluoroacetyl)oxy-$l^{3}-iodanyl] 2,2,2-trifluoroacetate |
| InChI Key | PEZNEXFPRSOYPL-UHFFFAOYSA-N |
| Molecular Formula | C10H5F6IO4 |
N-[4-(Trifluoromethyl)phenyl]thiourea, 98%
CAS: 1736-72-7 Molecular Formula: C8H7F3N2S Molecular Weight (g/mol): 220.21 MDL Number: MFCD00041189 InChI Key: OWTDDZMFRLUBQI-UHFFFAOYSA-N Synonym: 1-4-trifluoromethyl phenyl thiourea,4-trifluoromethyl phenyl thiourea,1-4-trifluoromethyl phenyl-2-thiourea,4-trifluoromethyl phenylthiourea,n-4-trifluoromethyl phenyl thiourea,4-trifluoromethyl-phenyl-thiourea,thiourea, 4-trifluoromethyl phenyl,amino 4-trifluoromethyl phenyl amino methane-1-thione PubChem CID: 2777727 IUPAC Name: [4-(trifluoromethyl)phenyl]thiourea SMILES: NC(=S)NC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 2777727 |
|---|---|
| CAS | 1736-72-7 |
| Molecular Weight (g/mol) | 220.21 |
| MDL Number | MFCD00041189 |
| SMILES | NC(=S)NC1=CC=C(C=C1)C(F)(F)F |
| Synonym | 1-4-trifluoromethyl phenyl thiourea,4-trifluoromethyl phenyl thiourea,1-4-trifluoromethyl phenyl-2-thiourea,4-trifluoromethyl phenylthiourea,n-4-trifluoromethyl phenyl thiourea,4-trifluoromethyl-phenyl-thiourea,thiourea, 4-trifluoromethyl phenyl,amino 4-trifluoromethyl phenyl amino methane-1-thione |
| IUPAC Name | [4-(trifluoromethyl)phenyl]thiourea |
| InChI Key | OWTDDZMFRLUBQI-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3N2S |
4-Amino-3-hydroxy-1-naphthalenesulfonic acid, 99%
CAS: 116-63-2 Molecular Formula: C10H9NO4S Molecular Weight (g/mol): 239.245 MDL Number: MFCD00004019 InChI Key: RXCMFQDTWCCLBL-UHFFFAOYSA-N Synonym: 1-amino-2-naphthol-4-sulfonic acid,4-amino-3-hydroxy-1-naphthalenesulfonic acid,1-amino-4-sulfo-2-naphthol,1,2,4-acid,unii-w46sk3p33g,1-naphthalenesulfonic acid, 4-amino-3-hydroxy,4-amino-3-hydroxynaphthalene-1-sulphonic acid,4-amino-3-hydroxynaphthalenesulfonic acid,1,2,4-aminonaphtholsulfonic acid,2-hydroxy-4-sulfo-1-naphthylamine PubChem CID: 8316 ChEBI: CHEBI:19024 IUPAC Name: 4-amino-3-hydroxynaphthalene-1-sulfonic acid SMILES: C1=CC=C2C(=C1)C(=CC(=C2N)O)S(=O)(=O)O
| PubChem CID | 8316 |
|---|---|
| CAS | 116-63-2 |
| Molecular Weight (g/mol) | 239.245 |
| ChEBI | CHEBI:19024 |
| MDL Number | MFCD00004019 |
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2N)O)S(=O)(=O)O |
| Synonym | 1-amino-2-naphthol-4-sulfonic acid,4-amino-3-hydroxy-1-naphthalenesulfonic acid,1-amino-4-sulfo-2-naphthol,1,2,4-acid,unii-w46sk3p33g,1-naphthalenesulfonic acid, 4-amino-3-hydroxy,4-amino-3-hydroxynaphthalene-1-sulphonic acid,4-amino-3-hydroxynaphthalenesulfonic acid,1,2,4-aminonaphtholsulfonic acid,2-hydroxy-4-sulfo-1-naphthylamine |
| IUPAC Name | 4-amino-3-hydroxynaphthalene-1-sulfonic acid |
| InChI Key | RXCMFQDTWCCLBL-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO4S |