Benzene and substituted derivatives
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Benzyl 3-bromopropyl ether, 95%
CAS: 54314-84-0 Molecular Formula: C10H13BrO Molecular Weight (g/mol): 229.12 MDL Number: MFCD00134570 InChI Key: PSUXTZLDBVEZTD-UHFFFAOYSA-N Synonym: benzyl 3-bromopropyl ether,3-bromopropoxy methyl benzene,3-bromopropylbenzyl ether,3-benzyloxy-1-bromopropane,3-benzyloxy propyl bromide,benzene, 3-bromopropoxy methyl,1-3-bromopropoxy methyl benzene,benzyl3-bromopropylether PubChem CID: 2776064 IUPAC Name: [(3-bromopropoxy)methyl]benzene SMILES: BrCCCOCC1=CC=CC=C1
| PubChem CID | 2776064 |
|---|---|
| CAS | 54314-84-0 |
| Molecular Weight (g/mol) | 229.12 |
| MDL Number | MFCD00134570 |
| SMILES | BrCCCOCC1=CC=CC=C1 |
| Synonym | benzyl 3-bromopropyl ether,3-bromopropoxy methyl benzene,3-bromopropylbenzyl ether,3-benzyloxy-1-bromopropane,3-benzyloxy propyl bromide,benzene, 3-bromopropoxy methyl,1-3-bromopropoxy methyl benzene,benzyl3-bromopropylether |
| IUPAC Name | [(3-bromopropoxy)methyl]benzene |
| InChI Key | PSUXTZLDBVEZTD-UHFFFAOYSA-N |
| Molecular Formula | C10H13BrO |
p-Xylylenediamine, 97%
CAS: 539-48-0 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.198 MDL Number: MFCD00009821 InChI Key: ISKQADXMHQSTHK-UHFFFAOYSA-N Synonym: p-xylylenediamine,1,4-phenylenedimethanamine,1,4-bis aminomethyl benzene,1,4-benzenedimethanamine,1,4-xylylenediamine,p-xylylendiamine,4-aminomethylbenzylamine,p-xylylendiamine czech,p-phenylenebis methylamine,4-aminomethyl phenyl methanamine PubChem CID: 68315 IUPAC Name: [4-(aminomethyl)phenyl]methanamine SMILES: C1=CC(=CC=C1CN)CN
| PubChem CID | 68315 |
|---|---|
| CAS | 539-48-0 |
| Molecular Weight (g/mol) | 136.198 |
| MDL Number | MFCD00009821 |
| SMILES | C1=CC(=CC=C1CN)CN |
| Synonym | p-xylylenediamine,1,4-phenylenedimethanamine,1,4-bis aminomethyl benzene,1,4-benzenedimethanamine,1,4-xylylenediamine,p-xylylendiamine,4-aminomethylbenzylamine,p-xylylendiamine czech,p-phenylenebis methylamine,4-aminomethyl phenyl methanamine |
| IUPAC Name | [4-(aminomethyl)phenyl]methanamine |
| InChI Key | ISKQADXMHQSTHK-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
3-Bromo-2,4,6-trimethylaniline, 98+%
CAS: 82842-52-2 Molecular Formula: C9H12BrN Molecular Weight (g/mol): 214.106 MDL Number: MFCD00015476 InChI Key: MVLMPTBHZPYDBZ-UHFFFAOYSA-N Synonym: benzenamine, 3-bromo-2,4,6-trimethyl,pubchem4363,ksc496e8h,2,4,6-trimethyl-3-bromoaniline,3-bromo-2,4,6-trimethyl-aniline,3-bromo-2,4,6-trimethylbenzenamine,3-bromo-2,4,6-trimethylphenylamine,3-bromo-2,4,6-trimethyl-phenylamine,3-bromo-2,4,6-trimethylaniline,3-bromo-2,4,6-trimethylaniline, 98+% PubChem CID: 688300 IUPAC Name: 3-bromo-2,4,6-trimethylaniline SMILES: CC1=CC(=C(C(=C1N)C)Br)C
| PubChem CID | 688300 |
|---|---|
| CAS | 82842-52-2 |
| Molecular Weight (g/mol) | 214.106 |
| MDL Number | MFCD00015476 |
| SMILES | CC1=CC(=C(C(=C1N)C)Br)C |
| Synonym | benzenamine, 3-bromo-2,4,6-trimethyl,pubchem4363,ksc496e8h,2,4,6-trimethyl-3-bromoaniline,3-bromo-2,4,6-trimethyl-aniline,3-bromo-2,4,6-trimethylbenzenamine,3-bromo-2,4,6-trimethylphenylamine,3-bromo-2,4,6-trimethyl-phenylamine,3-bromo-2,4,6-trimethylaniline,3-bromo-2,4,6-trimethylaniline, 98+% |
| IUPAC Name | 3-bromo-2,4,6-trimethylaniline |
| InChI Key | MVLMPTBHZPYDBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12BrN |
(S)-2-Methyl-CBS-oxazaborolidine, 1M soln. in toluene
CAS: 112022-81-8 Molecular Formula: C18H20BNO Molecular Weight (g/mol): 277.17 MDL Number: MFCD00078439 InChI Key: VMKAFJQFKBASMU-KRWDZBQOSA-N Synonym: s-2-methyl-cbs-oxazaborolidine,s-methyl oxazaborolidine,s---2-methyl-cbs-oxazaborolidine,s-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,corey catalyst,s-methyl-cbs-oxazaborolidine,s-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,s-me-cbs catalyst,s-methyl-cbs,s-me-cbs PubChem CID: 2734713 IUPAC Name: (3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole SMILES: [H][C@@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2734713 |
|---|---|
| CAS | 112022-81-8 |
| Molecular Weight (g/mol) | 277.17 |
| MDL Number | MFCD00078439 |
| SMILES | [H][C@@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | s-2-methyl-cbs-oxazaborolidine,s-methyl oxazaborolidine,s---2-methyl-cbs-oxazaborolidine,s-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,corey catalyst,s-methyl-cbs-oxazaborolidine,s-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,s-me-cbs catalyst,s-methyl-cbs,s-me-cbs |
| IUPAC Name | (3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole |
| InChI Key | VMKAFJQFKBASMU-KRWDZBQOSA-N |
| Molecular Formula | C18H20BNO |
3-Ethoxybenzoic acid, 98+%, Thermo Scientific Chemicals
CAS: 621-51-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016517 InChI Key: DTFQMPQJMDEWKJ-UHFFFAOYSA-N Synonym: 3-ethoxybenzoate,m-ethoxybenzoic acid,benzoic acid, 3-ethoxy,3-ethoxy-benzoic acid,benzoic acid, m-ethoxy,3-ethoxybenzoicacid,3-ethyloxy benzoic acid,3-ethoxybenzoic acid PubChem CID: 12126 ChEBI: CHEBI:27990 IUPAC Name: 3-ethoxybenzoic acid SMILES: CCOC1=CC=CC(=C1)C(=O)O
| PubChem CID | 12126 |
|---|---|
| CAS | 621-51-2 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:27990 |
| MDL Number | MFCD00016517 |
| SMILES | CCOC1=CC=CC(=C1)C(=O)O |
| Synonym | 3-ethoxybenzoate,m-ethoxybenzoic acid,benzoic acid, 3-ethoxy,3-ethoxy-benzoic acid,benzoic acid, m-ethoxy,3-ethoxybenzoicacid,3-ethyloxy benzoic acid,3-ethoxybenzoic acid |
| IUPAC Name | 3-ethoxybenzoic acid |
| InChI Key | DTFQMPQJMDEWKJ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Hydroxybenzophenone, 99%
CAS: 117-99-7 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00002216 InChI Key: HJIAMFHSAAEUKR-UHFFFAOYSA-N Synonym: 2-hydroxybenzophenone,o-benzoylphenol,2-hydroxyphenyl phenyl methanone,o-hydroxybenzophenone,benzophenone, 2-hydroxy,methanone, 2-hydroxyphenyl phenyl,phenyl 2-hydroxyphenyl ketone,unii-lqv22w4v05,ortho-hydroxybenzophenone,2-hydroxyphenyl phenylmethanone PubChem CID: 8348 IUPAC Name: (2-hydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O
| PubChem CID | 8348 |
|---|---|
| CAS | 117-99-7 |
| Molecular Weight (g/mol) | 198.221 |
| MDL Number | MFCD00002216 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2O |
| Synonym | 2-hydroxybenzophenone,o-benzoylphenol,2-hydroxyphenyl phenyl methanone,o-hydroxybenzophenone,benzophenone, 2-hydroxy,methanone, 2-hydroxyphenyl phenyl,phenyl 2-hydroxyphenyl ketone,unii-lqv22w4v05,ortho-hydroxybenzophenone,2-hydroxyphenyl phenylmethanone |
| IUPAC Name | (2-hydroxyphenyl)-phenylmethanone |
| InChI Key | HJIAMFHSAAEUKR-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
5-Iodo-1,2,3-trimethoxybenzene, 97%
CAS: 25245-29-8 Molecular Formula: C9H11IO3 Molecular Weight (g/mol): 294.09 MDL Number: MFCD01318153 InChI Key: IWPMQXOVTMABLF-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyiodobenzene,benzene, 5-iodo-1,2,3-trimethoxy,acmc-1cfcc,3,4,5-trimethoxy-iodobenzene,3,4,5-trimethoxyphenyl iodide,3,4,5-trimethoxy-iodo-benzene,1-iodo-3,4,5-trimethoxybenzene,1,2,3-trimethoxy-5-iodobenzene,5-iodo-1,2,3-trimethoxy-benzene,5-iodanyl-1,2,3-trimethoxy-benzene PubChem CID: 298133 IUPAC Name: 5-iodo-1,2,3-trimethoxybenzene SMILES: COC1=CC(I)=CC(OC)=C1OC
| PubChem CID | 298133 |
|---|---|
| CAS | 25245-29-8 |
| Molecular Weight (g/mol) | 294.09 |
| MDL Number | MFCD01318153 |
| SMILES | COC1=CC(I)=CC(OC)=C1OC |
| Synonym | 3,4,5-trimethoxyiodobenzene,benzene, 5-iodo-1,2,3-trimethoxy,acmc-1cfcc,3,4,5-trimethoxy-iodobenzene,3,4,5-trimethoxyphenyl iodide,3,4,5-trimethoxy-iodo-benzene,1-iodo-3,4,5-trimethoxybenzene,1,2,3-trimethoxy-5-iodobenzene,5-iodo-1,2,3-trimethoxy-benzene,5-iodanyl-1,2,3-trimethoxy-benzene |
| IUPAC Name | 5-iodo-1,2,3-trimethoxybenzene |
| InChI Key | IWPMQXOVTMABLF-UHFFFAOYSA-N |
| Molecular Formula | C9H11IO3 |
Benzoic anhydride, 98%
CAS: 93-97-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.231 MDL Number: MFCD00003073 InChI Key: CHIHQLCVLOXUJW-UHFFFAOYSA-N Synonym: benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate PubChem CID: 7167 ChEBI: CHEBI:38815 IUPAC Name: benzoyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2
| PubChem CID | 7167 |
|---|---|
| CAS | 93-97-0 |
| Molecular Weight (g/mol) | 226.231 |
| ChEBI | CHEBI:38815 |
| MDL Number | MFCD00003073 |
| SMILES | C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2 |
| Synonym | benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate |
| IUPAC Name | benzoyl benzoate |
| InChI Key | CHIHQLCVLOXUJW-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
4,4'-Di-tert-butylbiphenyl, 99+%
CAS: 1625-91-8 Molecular Formula: C20H26 Molecular Weight (g/mol): 266.42 MDL Number: MFCD00008834 InChI Key: CDKCEZNPAYWORX-UHFFFAOYSA-N Synonym: 4,4'-di-tert-butylbiphenyl,4,4'-di-tert-butyl-1,1'-biphenyl,4,4'-di-t-butylbiphenyl,1-tert-butyl-4-4-tert-butylphenyl benzene,1,1'-biphenyl, 4,4'-bis 1,1-dimethylethyl,1-tert-butyl-4-4-tert-butyl phenyl benzene,di-t-butylbiphenyl,pubchem9048,acmc-209st2,4,4'-di-tertbutylbiphenyl PubChem CID: 74195 IUPAC Name: 1-tert-butyl-4-(4-tert-butylphenyl)benzene SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C
| PubChem CID | 74195 |
|---|---|
| CAS | 1625-91-8 |
| Molecular Weight (g/mol) | 266.42 |
| MDL Number | MFCD00008834 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C |
| Synonym | 4,4'-di-tert-butylbiphenyl,4,4'-di-tert-butyl-1,1'-biphenyl,4,4'-di-t-butylbiphenyl,1-tert-butyl-4-4-tert-butylphenyl benzene,1,1'-biphenyl, 4,4'-bis 1,1-dimethylethyl,1-tert-butyl-4-4-tert-butyl phenyl benzene,di-t-butylbiphenyl,pubchem9048,acmc-209st2,4,4'-di-tertbutylbiphenyl |
| IUPAC Name | 1-tert-butyl-4-(4-tert-butylphenyl)benzene |
| InChI Key | CDKCEZNPAYWORX-UHFFFAOYSA-N |
| Molecular Formula | C20H26 |
3-Fluorophenylboronic acid, 97%
CAS: 768-35-4 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00236042 InChI Key: KNXQDJCZSVHEIW-UHFFFAOYSA-N Synonym: 3-fluorophenyl boronic acid,3-fluorobenzeneboronic acid,m-fluorophenylboronic acid,3-fluoro phenylboric acid,3-fluorophenyl boranediol,3-fluorophenylbornic acid,fpba,boronic acid, b-3-fluorophenyl,3-fluoro-phenyl-boronic acid PubChem CID: 2733986 IUPAC Name: (3-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=CC(F)=C1
| PubChem CID | 2733986 |
|---|---|
| CAS | 768-35-4 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00236042 |
| SMILES | OB(O)C1=CC=CC(F)=C1 |
| Synonym | 3-fluorophenyl boronic acid,3-fluorobenzeneboronic acid,m-fluorophenylboronic acid,3-fluoro phenylboric acid,3-fluorophenyl boranediol,3-fluorophenylbornic acid,fpba,boronic acid, b-3-fluorophenyl,3-fluoro-phenyl-boronic acid |
| IUPAC Name | (3-fluorophenyl)boronic acid |
| InChI Key | KNXQDJCZSVHEIW-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
2-Amino-5-iodobenzoic acid, 98%, Thermo Scientific Chemicals
CAS: 5326-47-6 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.03 MDL Number: MFCD00007849 InChI Key: GOLGILSVWFKZRQ-UHFFFAOYSA-N Synonym: 5-iodoanthranilic acid,benzoic acid, 2-amino-5-iodo,5-iodoanthranil acid,anthranilic acid, 5-iodo,2-amino-5-iodo-benzoic acid,pubchem2543,5-iodo anthranilic acid,acmc-1ays8,2-amino-5-iodobenzoicacid,5-iodo-2-aminobenzoic acid PubChem CID: 72911 IUPAC Name: 2-amino-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)N
| PubChem CID | 72911 |
|---|---|
| CAS | 5326-47-6 |
| Molecular Weight (g/mol) | 263.03 |
| MDL Number | MFCD00007849 |
| SMILES | C1=CC(=C(C=C1I)C(=O)O)N |
| Synonym | 5-iodoanthranilic acid,benzoic acid, 2-amino-5-iodo,5-iodoanthranil acid,anthranilic acid, 5-iodo,2-amino-5-iodo-benzoic acid,pubchem2543,5-iodo anthranilic acid,acmc-1ays8,2-amino-5-iodobenzoicacid,5-iodo-2-aminobenzoic acid |
| IUPAC Name | 2-amino-5-iodobenzoic acid |
| InChI Key | GOLGILSVWFKZRQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO2 |
4-(N-BOC-amino)phenylboronic acid, 97%
CAS: 380430-49-9 Molecular Formula: C11H16BNO4 Molecular Weight (g/mol): 237.06 MDL Number: MFCD02093054 InChI Key: UBVOLHQIEQVXGM-UHFFFAOYSA-N Synonym: 4-boc-aminophenyl boronic acid,4-n-boc-amino phenylboronic acid,4-tert-butoxycarbonyl amino phenyl boronic acid,4-tert-butoxycarbonylamino phenylboronic acid,4-tert-butoxycarbonyl aminophenylboronic acid,4-boc-amino benzeneboronic acid,4-aminobenzeneboronic acid, n-boc protected,4-tert-butoxycarbonyl amino phenylboronic acid,4-2-methylpropan-2-yl oxycarbonylamino phenyl boronic acid,4-tert-butoxycarbonylamino phenyl boronic acid PubChem CID: 3613184 IUPAC Name: [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)B(O)O
| PubChem CID | 3613184 |
|---|---|
| CAS | 380430-49-9 |
| Molecular Weight (g/mol) | 237.06 |
| MDL Number | MFCD02093054 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)B(O)O |
| Synonym | 4-boc-aminophenyl boronic acid,4-n-boc-amino phenylboronic acid,4-tert-butoxycarbonyl amino phenyl boronic acid,4-tert-butoxycarbonylamino phenylboronic acid,4-tert-butoxycarbonyl aminophenylboronic acid,4-boc-amino benzeneboronic acid,4-aminobenzeneboronic acid, n-boc protected,4-tert-butoxycarbonyl amino phenylboronic acid,4-2-methylpropan-2-yl oxycarbonylamino phenyl boronic acid,4-tert-butoxycarbonylamino phenyl boronic acid |
| IUPAC Name | [4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
| InChI Key | UBVOLHQIEQVXGM-UHFFFAOYSA-N |
| Molecular Formula | C11H16BNO4 |
3,3',5-Triiodo-L-thyronine, 95%, Thermo Scientific Chemicals
CAS: 6893-02-3 Molecular Formula: C15H12I3NO4 Molecular Weight (g/mol): 650.97 InChI Key: AUYYCJSJGJYCDS-UHFFFAOYNA-N
| CAS | 6893-02-3 |
|---|---|
| Molecular Weight (g/mol) | 650.97 |
| InChI Key | AUYYCJSJGJYCDS-UHFFFAOYNA-N |
| Molecular Formula | C15H12I3NO4 |
4-Amino-3-methoxybenzoic acid, 98%
CAS: 2486-69-3 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00016539 InChI Key: JNFGLYJROFAOQP-UHFFFAOYSA-N Synonym: 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid PubChem CID: 288057 IUPAC Name: 4-amino-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)N
| PubChem CID | 288057 |
|---|---|
| CAS | 2486-69-3 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD00016539 |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)N |
| Synonym | 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid |
| IUPAC Name | 4-amino-3-methoxybenzoic acid |
| InChI Key | JNFGLYJROFAOQP-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |