Benzene and substituted derivatives
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2-Fluorobenzylamine, 96%
CAS: 89-99-6 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00008107 InChI Key: LRFWYBZWRQWZIM-UHFFFAOYSA-N Synonym: 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine PubChem CID: 66649 IUPAC Name: (2-fluorophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)F
| PubChem CID | 66649 |
|---|---|
| CAS | 89-99-6 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD00008107 |
| SMILES | C1=CC=C(C(=C1)CN)F |
| Synonym | 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine |
| IUPAC Name | (2-fluorophenyl)methanamine |
| InChI Key | LRFWYBZWRQWZIM-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
3-Vinylbenzoic acid, 96%
CAS: 28447-20-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00157038 InChI Key: VWXZFDWVWMQRQR-UHFFFAOYSA-N PubChem CID: 4438231 IUPAC Name: 3-ethenylbenzoic acid SMILES: C=CC1=CC(=CC=C1)C(=O)O
| PubChem CID | 4438231 |
|---|---|
| CAS | 28447-20-3 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00157038 |
| SMILES | C=CC1=CC(=CC=C1)C(=O)O |
| IUPAC Name | 3-ethenylbenzoic acid |
| InChI Key | VWXZFDWVWMQRQR-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Methyltriphenylphosphonium chloride, 97%, Thermo Scientific Chemicals
CAS: 1031-15-8 Molecular Formula: C19H18ClP Molecular Weight (g/mol): 312.78 MDL Number: MFCD00797851 InChI Key: QRPRIOOKPZSVFN-UHFFFAOYSA-M Synonym: methyltriphenylphosphonium chloride,methyl triphenyl phosphonium chloride,phosphonium, methyltriphenyl-, chloride,methyltriphenylphosphanium chloride,methyltriphenylphosphoniumchloride,methyl triphenylphosphoniumchloride,methyl triphenylphosphonium chloride,methyl triphenyl phosphanium chloride PubChem CID: 9879809 IUPAC Name: methyl(triphenyl)phosphanium;chloride SMILES: [Cl-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 9879809 |
|---|---|
| CAS | 1031-15-8 |
| Molecular Weight (g/mol) | 312.78 |
| MDL Number | MFCD00797851 |
| SMILES | [Cl-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methyltriphenylphosphonium chloride,methyl triphenyl phosphonium chloride,phosphonium, methyltriphenyl-, chloride,methyltriphenylphosphanium chloride,methyltriphenylphosphoniumchloride,methyl triphenylphosphoniumchloride,methyl triphenylphosphonium chloride,methyl triphenyl phosphanium chloride |
| IUPAC Name | methyl(triphenyl)phosphanium;chloride |
| InChI Key | QRPRIOOKPZSVFN-UHFFFAOYSA-M |
| Molecular Formula | C19H18ClP |
Sotalol hydrochloride, 98%
CAS: 959-24-0 Molecular Formula: C12H21ClN2O3S Molecular Weight (g/mol): 308.82 MDL Number: MFCD00242937 InChI Key: VIDRYROWYFWGSY-UHFFFAOYNA-N Synonym: sotalol hydrochloride,sotalol hcl,betapace,betapace af,sotacor,sotalex,berlex,mead johnson 1999,sorine PubChem CID: 66245 ChEBI: CHEBI:9207 IUPAC Name: hydrogen N-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide chloride SMILES: [H+].[Cl-].CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
| PubChem CID | 66245 |
|---|---|
| CAS | 959-24-0 |
| Molecular Weight (g/mol) | 308.82 |
| ChEBI | CHEBI:9207 |
| MDL Number | MFCD00242937 |
| SMILES | [H+].[Cl-].CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1 |
| Synonym | sotalol hydrochloride,sotalol hcl,betapace,betapace af,sotacor,sotalex,berlex,mead johnson 1999,sorine |
| IUPAC Name | hydrogen N-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide chloride |
| InChI Key | VIDRYROWYFWGSY-UHFFFAOYNA-N |
| Molecular Formula | C12H21ClN2O3S |
o-Phthalaldehyde, MP Biomedicals™
CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: benzene-1,2-dicarbaldehyde SMILES: O=CC1=CC=CC=C1C=O
| PubChem CID | 4807 |
|---|---|
| CAS | 643-79-8 |
| Molecular Weight (g/mol) | 134.13 |
| ChEBI | CHEBI:70851 |
| MDL Number | MFCD00003335 |
| SMILES | O=CC1=CC=CC=C1C=O |
| Synonym | o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde |
| IUPAC Name | benzene-1,2-dicarbaldehyde |
| InChI Key | ZWLUXSQADUDCSB-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |
2,3-Dihydroxybenzoic acid, 99%
CAS: 303-38-8 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002446 InChI Key: GLDQAMYCGOIJDV-UHFFFAOYSA-N Synonym: pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid PubChem CID: 19 ChEBI: CHEBI:18026 IUPAC Name: 2,3-dihydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O
| PubChem CID | 19 |
|---|---|
| CAS | 303-38-8 |
| Molecular Weight (g/mol) | 154.12 |
| ChEBI | CHEBI:18026 |
| MDL Number | MFCD00002446 |
| SMILES | C1=CC(=C(C(=C1)O)O)C(=O)O |
| Synonym | pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid |
| IUPAC Name | 2,3-dihydroxybenzoic acid |
| InChI Key | GLDQAMYCGOIJDV-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
2-Chloro-5-nitrobenzoic Acid, 99+%
CAS: 2516-96-3 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
| PubChem CID | 17287 |
|---|---|
| CAS | 2516-96-3 |
| Molecular Weight (g/mol) | 201.56 |
| MDL Number | MFCD00007294 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl |
| Synonym | 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid |
| InChI Key | QUEKGYQTRJVEQC-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO4 |
4-Fluorobenzoic acid, 99%
CAS: 456-22-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002530 InChI Key: BBYDXOIZLAWGSL-UHFFFAOYSA-N Synonym: p-fluorobenzoic acid,benzoic acid, 4-fluoro,para-fluorobenzoic acid,4-fluoro-benzoic acid,benzoic acid, p-fluoro,unii-v5roo2hou4,p-fluoro-benzoic acid,v5roo2hou4,4-fluorobenzoatd,p-flurobenzoic acid PubChem CID: 9973 ChEBI: CHEBI:20364 IUPAC Name: 4-fluorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)F
| PubChem CID | 9973 |
|---|---|
| CAS | 456-22-4 |
| Molecular Weight (g/mol) | 140.11 |
| ChEBI | CHEBI:20364 |
| MDL Number | MFCD00002530 |
| SMILES | C1=CC(=CC=C1C(=O)O)F |
| Synonym | p-fluorobenzoic acid,benzoic acid, 4-fluoro,para-fluorobenzoic acid,4-fluoro-benzoic acid,benzoic acid, p-fluoro,unii-v5roo2hou4,p-fluoro-benzoic acid,v5roo2hou4,4-fluorobenzoatd,p-flurobenzoic acid |
| IUPAC Name | 4-fluorobenzoic acid |
| InChI Key | BBYDXOIZLAWGSL-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
4-Bromophenylacetic acid, 99%
CAS: 1878-68-8 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00004342 InChI Key: QOWSWEBLNVACCL-UHFFFAOYSA-N Synonym: 4-bromophenylacetic acid,2-4-bromophenyl acetic acid,4-bromophenyl acetic acid,p-bromophenylacetic acid,4-bromobenzeneacetic acid,benzeneacetic acid, 4-bromo,p-bromophenyl acetic acid,acetic acid, p-bromophenyl,p-bromphenylessigsaure german PubChem CID: 74654 ChEBI: CHEBI:1790 IUPAC Name: 2-(4-bromophenyl)acetic acid SMILES: OC(=O)CC1=CC=C(Br)C=C1
| PubChem CID | 74654 |
|---|---|
| CAS | 1878-68-8 |
| Molecular Weight (g/mol) | 215.05 |
| ChEBI | CHEBI:1790 |
| MDL Number | MFCD00004342 |
| SMILES | OC(=O)CC1=CC=C(Br)C=C1 |
| Synonym | 4-bromophenylacetic acid,2-4-bromophenyl acetic acid,4-bromophenyl acetic acid,p-bromophenylacetic acid,4-bromobenzeneacetic acid,benzeneacetic acid, 4-bromo,p-bromophenyl acetic acid,acetic acid, p-bromophenyl,p-bromphenylessigsaure german |
| IUPAC Name | 2-(4-bromophenyl)acetic acid |
| InChI Key | QOWSWEBLNVACCL-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
Trimethyl orthobenzoate, 97%
CAS: 707-07-3 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00008474 InChI Key: IECKAVQTURBPON-UHFFFAOYSA-N Synonym: trimethyl orthobenzoate,trimethoxymethyl benzene,methyl orthobenzoate,benzene, trimethoxymethyl,trimethylorthobenzoate,orthobenzoic acid, trimethyl ester,orthobenzoic acid trimethyl ester,alpha,alpha,alpha-trimethoxytoluene,trimethoxyphenylmethane,trimethyl orthobeznoate PubChem CID: 69720 IUPAC Name: trimethoxymethylbenzene SMILES: COC(C1=CC=CC=C1)(OC)OC
| PubChem CID | 69720 |
|---|---|
| CAS | 707-07-3 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00008474 |
| SMILES | COC(C1=CC=CC=C1)(OC)OC |
| Synonym | trimethyl orthobenzoate,trimethoxymethyl benzene,methyl orthobenzoate,benzene, trimethoxymethyl,trimethylorthobenzoate,orthobenzoic acid, trimethyl ester,orthobenzoic acid trimethyl ester,alpha,alpha,alpha-trimethoxytoluene,trimethoxyphenylmethane,trimethyl orthobeznoate |
| IUPAC Name | trimethoxymethylbenzene |
| InChI Key | IECKAVQTURBPON-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
1,3-Benzenedimethanol, 98%
CAS: 626-18-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004649 InChI Key: YWMLORGQOFONNT-UHFFFAOYSA-N Synonym: 1,3-benzenedimethanol,3-hydroxymethyl phenyl methanol,1,3-phenylenedimethanol,1,3-dihydroxymethylbenzene,m-xylene-alpha,alpha'-diol,m-xylene glycol,m-xylylene glycol,3-hydroxymethyl phenyl methan-1-ol,m-xylylenalkohol,m-benzenedimethanol PubChem CID: 69374 IUPAC Name: [3-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)CO
| PubChem CID | 69374 |
|---|---|
| CAS | 626-18-6 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00004649 |
| SMILES | C1=CC(=CC(=C1)CO)CO |
| Synonym | 1,3-benzenedimethanol,3-hydroxymethyl phenyl methanol,1,3-phenylenedimethanol,1,3-dihydroxymethylbenzene,m-xylene-alpha,alpha'-diol,m-xylene glycol,m-xylylene glycol,3-hydroxymethyl phenyl methan-1-ol,m-xylylenalkohol,m-benzenedimethanol |
| IUPAC Name | [3-(hydroxymethyl)phenyl]methanol |
| InChI Key | YWMLORGQOFONNT-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
3,4-Dichlorobenzyl chloride, 98+%
CAS: 102-47-6 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000906 InChI Key: YZIFVWOCPGPNHB-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro PubChem CID: 7609 IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene SMILES: C1=CC(=C(C=C1CCl)Cl)Cl
| PubChem CID | 7609 |
|---|---|
| CAS | 102-47-6 |
| Molecular Weight (g/mol) | 195.47 |
| MDL Number | MFCD00000906 |
| SMILES | C1=CC(=C(C=C1CCl)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro |
| IUPAC Name | 1,2-dichloro-4-(chloromethyl)benzene |
| InChI Key | YZIFVWOCPGPNHB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3 |
1,3-Dioxolane, 99.5+%, pure, stabilized
CAS: 646-06-0 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003207 InChI Key: WNXJIVFYUVYPPR-UHFFFAOYSA-N Synonym: dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 646-06-0 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:34247 |
| MDL Number | MFCD00003207 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | WNXJIVFYUVYPPR-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
1-Chloro-2-iodobenzene, 99%
CAS: 615-41-8 Molecular Formula: C6H4ClI Molecular Weight (g/mol): 238.45 MDL Number: MFCD00001033 InChI Key: MPEOPBCQHNWNFB-UHFFFAOYSA-N Synonym: 2-chloroiodobenzene,o-chloroiodobenzene,o-iodochlorobenzene,2-iodochlorobenzene,benzene, 1-chloro-2-iodo,2-chlorophenyl iodide,2-chloro-1-iodobenzene,1-chloro-2-iodo-benzene,chlorjodbenzol,iodochlorobenzene PubChem CID: 11993 IUPAC Name: 1-chloro-2-iodobenzene SMILES: ClC1=CC=CC=C1I
| PubChem CID | 11993 |
|---|---|
| CAS | 615-41-8 |
| Molecular Weight (g/mol) | 238.45 |
| MDL Number | MFCD00001033 |
| SMILES | ClC1=CC=CC=C1I |
| Synonym | 2-chloroiodobenzene,o-chloroiodobenzene,o-iodochlorobenzene,2-iodochlorobenzene,benzene, 1-chloro-2-iodo,2-chlorophenyl iodide,2-chloro-1-iodobenzene,1-chloro-2-iodo-benzene,chlorjodbenzol,iodochlorobenzene |
| IUPAC Name | 1-chloro-2-iodobenzene |
| InChI Key | MPEOPBCQHNWNFB-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClI |
m-Phenetidine, 98%
CAS: 621-33-0 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00007785 InChI Key: WEZAHYDFZNTGKE-UHFFFAOYSA-N Synonym: m-phenetidine,benzenamine, 3-ethoxy,m-ethoxyaniline,3-ethoxybenzenamine,unii-xe9kkl972r,ccris 4696,xe9kkl972r,3-ethoxyphenylamine,3-ethoxy aniline,3-ethoxy-phenylamine PubChem CID: 12120 IUPAC Name: 3-ethoxyaniline SMILES: CCOC1=CC=CC(N)=C1
| PubChem CID | 12120 |
|---|---|
| CAS | 621-33-0 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00007785 |
| SMILES | CCOC1=CC=CC(N)=C1 |
| Synonym | m-phenetidine,benzenamine, 3-ethoxy,m-ethoxyaniline,3-ethoxybenzenamine,unii-xe9kkl972r,ccris 4696,xe9kkl972r,3-ethoxyphenylamine,3-ethoxy aniline,3-ethoxy-phenylamine |
| IUPAC Name | 3-ethoxyaniline |
| InChI Key | WEZAHYDFZNTGKE-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |