Benzene and substituted derivatives
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(4-Pyrimidin-2-ylphenyl)methanol, 95%, Thermo Scientific™
CAS: 100806-78-8 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD09064975 InChI Key: NUNFHGGALVZZAU-UHFFFAOYSA-N Synonym: 4-pyrimidin-2-ylphenyl methanol,4-pyrimidin-2-yl phenyl methanol,4-pyrimidin-2-yl benzyl alcohol,benzenemethanol,4-2-pyrimidinyl,acmc-20dp6c,4-2-pyrimidinyl benzenemethanol,4-pyrimidin-2-ylphenyl methan-1-ol PubChem CID: 15597455 IUPAC Name: (4-pyrimidin-2-ylphenyl)methanol SMILES: C1=CN=C(N=C1)C2=CC=C(C=C2)CO
| PubChem CID | 15597455 |
|---|---|
| CAS | 100806-78-8 |
| Molecular Weight (g/mol) | 186.214 |
| MDL Number | MFCD09064975 |
| SMILES | C1=CN=C(N=C1)C2=CC=C(C=C2)CO |
| Synonym | 4-pyrimidin-2-ylphenyl methanol,4-pyrimidin-2-yl phenyl methanol,4-pyrimidin-2-yl benzyl alcohol,benzenemethanol,4-2-pyrimidinyl,acmc-20dp6c,4-2-pyrimidinyl benzenemethanol,4-pyrimidin-2-ylphenyl methan-1-ol |
| IUPAC Name | (4-pyrimidin-2-ylphenyl)methanol |
| InChI Key | NUNFHGGALVZZAU-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
4-Fluorobenzaldehyde, 98%
CAS: 459-57-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F
| PubChem CID | 68023 |
|---|---|
| CAS | 459-57-4 |
| Molecular Weight (g/mol) | 124.114 |
| MDL Number | MFCD00003378 |
| SMILES | C1=CC(=CC=C1C=O)F |
| Synonym | p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde |
| IUPAC Name | 4-fluorobenzaldehyde |
| InChI Key | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO |
4-Bromobenzotrifluoride, 99%
CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br
| PubChem CID | 67872 |
|---|---|
| CAS | 402-43-7 |
| Molecular Weight (g/mol) | 225.008 |
| MDL Number | MFCD00000398 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)Br |
| Synonym | 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene |
| IUPAC Name | 1-bromo-4-(trifluoromethyl)benzene |
| InChI Key | XLQSXGGDTHANLN-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3 |
2-(Diphenylphosphino)benzoic Acid, 98%
CAS: 17261-28-8 Molecular Formula: C19H15O2P Molecular Weight (g/mol): 306.30 MDL Number: MFCD00674024 InChI Key: UYRPRYSDOVYCOU-UHFFFAOYSA-N Synonym: 2-diphenylphosphino benzoic acid,2-diphenylphosphinobenzoic acid,benzoic acid, 2-diphenylphosphino,o-diphenylphosphinobenozic acid,2-carboxyphenyl diphenylphosphine,2-diphenylphosphanyl benzoic acid,benzoic acid, diphenylphosphino,o-diphenylphosphino benzoic acid,dppbac,acmc-1bt7u PubChem CID: 87021 IUPAC Name: 2-diphenylphosphanylbenzoic acid SMILES: OC(=O)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 87021 |
|---|---|
| CAS | 17261-28-8 |
| Molecular Weight (g/mol) | 306.30 |
| MDL Number | MFCD00674024 |
| SMILES | OC(=O)C1=CC=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-diphenylphosphino benzoic acid,2-diphenylphosphinobenzoic acid,benzoic acid, 2-diphenylphosphino,o-diphenylphosphinobenozic acid,2-carboxyphenyl diphenylphosphine,2-diphenylphosphanyl benzoic acid,benzoic acid, diphenylphosphino,o-diphenylphosphino benzoic acid,dppbac,acmc-1bt7u |
| IUPAC Name | 2-diphenylphosphanylbenzoic acid |
| InChI Key | UYRPRYSDOVYCOU-UHFFFAOYSA-N |
| Molecular Formula | C19H15O2P |
Benzyl alcohol, 98+%, Extra Dry, AcroSeal™
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
Cupferron, 97+%
CAS: 135-20-6 Molecular Formula: C6H9N3O2 Molecular Weight (g/mol): 155.16 MDL Number: MFCD00078422 InChI Key: NJVHCUNZAMFQNA-UHFFFAOYSA-N Synonym: cupferron,copperone,azanyliumylidene n-nitroso-n-oxidoaniline PubChem CID: 2724103 IUPAC Name: azanium;N-oxido-N-phenylnitrous amide SMILES: N.ON(N=O)C1=CC=CC=C1
| PubChem CID | 2724103 |
|---|---|
| CAS | 135-20-6 |
| Molecular Weight (g/mol) | 155.16 |
| MDL Number | MFCD00078422 |
| SMILES | N.ON(N=O)C1=CC=CC=C1 |
| Synonym | cupferron,copperone,azanyliumylidene n-nitroso-n-oxidoaniline |
| IUPAC Name | azanium;N-oxido-N-phenylnitrous amide |
| InChI Key | NJVHCUNZAMFQNA-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3O2 |
4-Aminophthalic acid, 98%
CAS: 5434-21-9 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00013985 InChI Key: OXSANYRLJHSQEP-UHFFFAOYSA-N Synonym: 4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208 PubChem CID: 72912 IUPAC Name: 4-aminophthalic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)C(=O)O
| PubChem CID | 72912 |
|---|---|
| CAS | 5434-21-9 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00013985 |
| SMILES | C1=CC(=C(C=C1N)C(=O)O)C(=O)O |
| Synonym | 4-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-amino,4-amino-1,2-benzenedicarboxylic acid,4-amino phthalic acid,contains 3-aminophthalic acid,pubchem16853,acmc-1arqu,4-aminophthalic acid,ksc270i4n,ghl.pd_mitscher_leg0.1208 |
| IUPAC Name | 4-aminophthalic acid |
| InChI Key | OXSANYRLJHSQEP-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Mesitaldehyde, 97%
CAS: 487-68-3 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00003341 InChI Key: HIKRJHFHGKZKRI-UHFFFAOYSA-N Synonym: mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural PubChem CID: 10254 IUPAC Name: 2,4,6-trimethylbenzaldehyde SMILES: CC1=CC(C)=C(C=O)C(C)=C1
| PubChem CID | 10254 |
|---|---|
| CAS | 487-68-3 |
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00003341 |
| SMILES | CC1=CC(C)=C(C=O)C(C)=C1 |
| Synonym | mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural |
| IUPAC Name | 2,4,6-trimethylbenzaldehyde |
| InChI Key | HIKRJHFHGKZKRI-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
2-Fluoro-4-methoxybenzaldehyde, 97%
CAS: 331-64-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00236679 InChI Key: UNWQNFJBBWXFBG-UHFFFAOYSA-N Synonym: 2-fluoro-p-anisaldehyde,2-fluoro-4-methoxy-benzaldehyde,2-fluoro-4-methoxy benzaldehyde,benzaldehyde, 2-fluoro-4-methoxy,2-fluoro-4-methoxybenzaldhyde,pubchem1447,acmc-209hyt,3-fluoro-4-formylanisole,2-fluor-4-methoxybenzaldehyd PubChem CID: 2734873 IUPAC Name: 2-fluoro-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(F)=C1
| PubChem CID | 2734873 |
|---|---|
| CAS | 331-64-6 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00236679 |
| SMILES | COC1=CC=C(C=O)C(F)=C1 |
| Synonym | 2-fluoro-p-anisaldehyde,2-fluoro-4-methoxy-benzaldehyde,2-fluoro-4-methoxy benzaldehyde,benzaldehyde, 2-fluoro-4-methoxy,2-fluoro-4-methoxybenzaldhyde,pubchem1447,acmc-209hyt,3-fluoro-4-formylanisole,2-fluor-4-methoxybenzaldehyd |
| IUPAC Name | 2-fluoro-4-methoxybenzaldehyde |
| InChI Key | UNWQNFJBBWXFBG-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
4-Chlorostyrene, 98+%, stab
CAS: 1073-67-2 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.59 MDL Number: MFCD00000632 InChI Key: KTZVZZJJVJQZHV-UHFFFAOYSA-N Synonym: 4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene PubChem CID: 14085 IUPAC Name: 1-chloro-4-ethenylbenzene SMILES: ClC1=CC=C(C=C)C=C1
| PubChem CID | 14085 |
|---|---|
| CAS | 1073-67-2 |
| Molecular Weight (g/mol) | 138.59 |
| MDL Number | MFCD00000632 |
| SMILES | ClC1=CC=C(C=C)C=C1 |
| Synonym | 4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene |
| IUPAC Name | 1-chloro-4-ethenylbenzene |
| InChI Key | KTZVZZJJVJQZHV-UHFFFAOYSA-N |
| Molecular Formula | C8H7Cl |
2-Bromobenzyl bromide, 98%
CAS: 3433-80-5 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00000173 InChI Key: LZSYGJNFCREHMD-UHFFFAOYSA-N Synonym: 2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene PubChem CID: 76965 IUPAC Name: 1-bromo-2-(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)Br
| PubChem CID | 76965 |
|---|---|
| CAS | 3433-80-5 |
| Molecular Weight (g/mol) | 249.933 |
| MDL Number | MFCD00000173 |
| SMILES | C1=CC=C(C(=C1)CBr)Br |
| Synonym | 2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene |
| IUPAC Name | 1-bromo-2-(bromomethyl)benzene |
| InChI Key | LZSYGJNFCREHMD-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2 |
2-Chloro-5-(trifluoromethyl)phenylacetic acid, 97%
CAS: 22893-39-6 Molecular Formula: C9H6ClF3O2 Molecular Weight (g/mol): 238.59 MDL Number: MFCD01631471 InChI Key: PDKWZFJSOMUXLE-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenylacetic acid,2-2-chloro-5-trifluoromethyl phenyl acetic acid,2-chloro-5-trifluoromethyl phenyl acetic acid,pubchem7160,acmc-20anz9,2-chloro-5-trifluoromethyl-phenyl-acetic acid,benzeneacetic acid, 2-chloro-5-trifluoromethyl PubChem CID: 2778119 IUPAC Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC(=CC=C1Cl)C(F)(F)F
| PubChem CID | 2778119 |
|---|---|
| CAS | 22893-39-6 |
| Molecular Weight (g/mol) | 238.59 |
| MDL Number | MFCD01631471 |
| SMILES | OC(=O)CC1=CC(=CC=C1Cl)C(F)(F)F |
| Synonym | 2-chloro-5-trifluoromethyl phenylacetic acid,2-2-chloro-5-trifluoromethyl phenyl acetic acid,2-chloro-5-trifluoromethyl phenyl acetic acid,pubchem7160,acmc-20anz9,2-chloro-5-trifluoromethyl-phenyl-acetic acid,benzeneacetic acid, 2-chloro-5-trifluoromethyl |
| IUPAC Name | 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid |
| InChI Key | PDKWZFJSOMUXLE-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClF3O2 |
Methyl 2-amino-5-chlorobenzoate, 98+%
CAS: 5202-89-1 Molecular Formula: C8H8ClNO2 Molecular Weight (g/mol): 185.607 MDL Number: MFCD00007837 InChI Key: IGHVUURTQGBABT-UHFFFAOYSA-N Synonym: methyl 5-chloroanthranilate,methyl2-amino-5-chlorobenzoate,5-chloroanthranilic acid methyl ester,benzoic acid, 2-amino-5-chloro-, methyl ester,2-amino-5-chlorobenzoic acid methyl ester,anthranilic acid, 5-chloro-, methyl ester,2-amino-5-chloro-benzoic acid methyl ester,pubchem3346,acmc-1axns,methyl-5-chloroanthranilate PubChem CID: 78878 IUPAC Name: methyl 2-amino-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)N
| PubChem CID | 78878 |
|---|---|
| CAS | 5202-89-1 |
| Molecular Weight (g/mol) | 185.607 |
| MDL Number | MFCD00007837 |
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)N |
| Synonym | methyl 5-chloroanthranilate,methyl2-amino-5-chlorobenzoate,5-chloroanthranilic acid methyl ester,benzoic acid, 2-amino-5-chloro-, methyl ester,2-amino-5-chlorobenzoic acid methyl ester,anthranilic acid, 5-chloro-, methyl ester,2-amino-5-chloro-benzoic acid methyl ester,pubchem3346,acmc-1axns,methyl-5-chloroanthranilate |
| IUPAC Name | methyl 2-amino-5-chlorobenzoate |
| InChI Key | IGHVUURTQGBABT-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO2 |
2-(4-Fluorophenyl)ethanol, 97%
CAS: 7589-27-7 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00002898 InChI Key: MWUVGXCUHWKQJE-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl ethanol,4-fluorophenethyl alcohol,4-fluorophenylethanol,benzeneethanol, 4-fluoro,2-4-fluorophenyl ethan-1-ol,4-fluorophenethylic alcohol,phenethyl alcohol, p-fluoro,4-fluorobenzeneethanol,4fa PubChem CID: 82068 IUPAC Name: 2-(4-fluorophenyl)ethanol SMILES: OCCC1=CC=C(F)C=C1
| PubChem CID | 82068 |
|---|---|
| CAS | 7589-27-7 |
| Molecular Weight (g/mol) | 140.16 |
| MDL Number | MFCD00002898 |
| SMILES | OCCC1=CC=C(F)C=C1 |
| Synonym | 2-4-fluorophenyl ethanol,4-fluorophenethyl alcohol,4-fluorophenylethanol,benzeneethanol, 4-fluoro,2-4-fluorophenyl ethan-1-ol,4-fluorophenethylic alcohol,phenethyl alcohol, p-fluoro,4-fluorobenzeneethanol,4fa |
| IUPAC Name | 2-(4-fluorophenyl)ethanol |
| InChI Key | MWUVGXCUHWKQJE-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO |
2,4,6-Trimethoxybenzoic acid, 98%
CAS: 570-02-5 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.20 MDL Number: MFCD00016497 InChI Key: JATAKEDDMQNPOQ-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trimethoxy,2,4,6-trimethoxy-benzoic acid,pubchem13726,acmc-1awjz,ksc495i9p,2,4,6-trimethoxy benzoic acid PubChem CID: 68441 IUPAC Name: 2,4,6-trimethoxybenzoic acid SMILES: COC1=CC(OC)=C(C(O)=O)C(OC)=C1
| PubChem CID | 68441 |
|---|---|
| CAS | 570-02-5 |
| Molecular Weight (g/mol) | 212.20 |
| MDL Number | MFCD00016497 |
| SMILES | COC1=CC(OC)=C(C(O)=O)C(OC)=C1 |
| Synonym | benzoic acid, 2,4,6-trimethoxy,2,4,6-trimethoxy-benzoic acid,pubchem13726,acmc-1awjz,ksc495i9p,2,4,6-trimethoxy benzoic acid |
| IUPAC Name | 2,4,6-trimethoxybenzoic acid |
| InChI Key | JATAKEDDMQNPOQ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |