Benzene and substituted derivatives
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2-Bromo-6-chlorobenzaldehyde, 98%
CAS: 64622-16-8 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00266792 InChI Key: NUGMENVSVAURGO-UHFFFAOYSA-N Synonym: 2-chloro-6-bromobenzaldehyde,benzaldehyde, 2-bromo-6-chloro,2-bromo-6-chloro-benzaldehyde PubChem CID: 13524042 IUPAC Name: 2-bromo-6-chlorobenzaldehyde SMILES: C1=CC(=C(C(=C1)Br)C=O)Cl
| PubChem CID | 13524042 |
|---|---|
| CAS | 64622-16-8 |
| Molecular Weight (g/mol) | 219.462 |
| MDL Number | MFCD00266792 |
| SMILES | C1=CC(=C(C(=C1)Br)C=O)Cl |
| Synonym | 2-chloro-6-bromobenzaldehyde,benzaldehyde, 2-bromo-6-chloro,2-bromo-6-chloro-benzaldehyde |
| IUPAC Name | 2-bromo-6-chlorobenzaldehyde |
| InChI Key | NUGMENVSVAURGO-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
3-Bromoaniline, 98%
CAS: 591-19-5 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.03 MDL Number: MFCD00007757 InChI Key: DHYHYLGCQVVLOQ-UHFFFAOYSA-N Synonym: m-bromoaniline,benzenamine, 3-bromo,3-bromo aniline,m-aminobromobenzene,aniline, m-bromo,3-bromobenzenamine,3-bromophenylamine,bromoaniline 3-,3-bromo-benzenamine,3-bromo-phenylamine PubChem CID: 11562 IUPAC Name: 3-bromoaniline SMILES: NC1=CC=CC(Br)=C1
| PubChem CID | 11562 |
|---|---|
| CAS | 591-19-5 |
| Molecular Weight (g/mol) | 172.03 |
| MDL Number | MFCD00007757 |
| SMILES | NC1=CC=CC(Br)=C1 |
| Synonym | m-bromoaniline,benzenamine, 3-bromo,3-bromo aniline,m-aminobromobenzene,aniline, m-bromo,3-bromobenzenamine,3-bromophenylamine,bromoaniline 3-,3-bromo-benzenamine,3-bromo-phenylamine |
| IUPAC Name | 3-bromoaniline |
| InChI Key | DHYHYLGCQVVLOQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
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 |
1,2-Dibenzoylbenzene, 97%
CAS: 1159-86-0 Molecular Formula: C20H14O2 Molecular Weight (g/mol): 286.33 MDL Number: MFCD00003078 InChI Key: OJLABXSUFRIXFL-UHFFFAOYSA-N Synonym: 1,2-dibenzoylbenzene,1,2-phenylenebis phenylmethanone,2-benzoylbenzophenone,2-benzoylphenyl phenyl methanone,methanone, 1,2-phenylenebis phenyl,ortho-dibenzoylbenzene,o-dibenzoylbenzene,methanone,1,1'-1,2-phenylene bis 1-phenyl,phenyl 2-phenylcarbonyl phenyl ketone PubChem CID: 70875 IUPAC Name: (2-benzoylphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3
| PubChem CID | 70875 |
|---|---|
| CAS | 1159-86-0 |
| Molecular Weight (g/mol) | 286.33 |
| MDL Number | MFCD00003078 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3 |
| Synonym | 1,2-dibenzoylbenzene,1,2-phenylenebis phenylmethanone,2-benzoylbenzophenone,2-benzoylphenyl phenyl methanone,methanone, 1,2-phenylenebis phenyl,ortho-dibenzoylbenzene,o-dibenzoylbenzene,methanone,1,1'-1,2-phenylene bis 1-phenyl,phenyl 2-phenylcarbonyl phenyl ketone |
| IUPAC Name | (2-benzoylphenyl)-phenylmethanone |
| InChI Key | OJLABXSUFRIXFL-UHFFFAOYSA-N |
| Molecular Formula | C20H14O2 |
2-(4-Bromophenyl)ethanol, 98%
CAS: 4654-39-1 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD00002897 InChI Key: PMOSJSPFNDUAFY-UHFFFAOYSA-N Synonym: 2-4-bromophenyl ethanol,4-bromophenethyl alcohol,p-bromophenethyl alcohol,benzeneethanol, 4-bromo,2-4-bromophenyl ethan-1-ol,2-4-bromo-phenyl-ethanol,2-4-bromophenyl ethyl alcohol,2-p-bromophenyl ethanol,phenethyl alcohol, p-bromo,4-bromobenzene ethanol PubChem CID: 72851 IUPAC Name: 2-(4-bromophenyl)ethanol SMILES: C1=CC(=CC=C1CCO)Br
| PubChem CID | 72851 |
|---|---|
| CAS | 4654-39-1 |
| Molecular Weight (g/mol) | 201.063 |
| MDL Number | MFCD00002897 |
| SMILES | C1=CC(=CC=C1CCO)Br |
| Synonym | 2-4-bromophenyl ethanol,4-bromophenethyl alcohol,p-bromophenethyl alcohol,benzeneethanol, 4-bromo,2-4-bromophenyl ethan-1-ol,2-4-bromo-phenyl-ethanol,2-4-bromophenyl ethyl alcohol,2-p-bromophenyl ethanol,phenethyl alcohol, p-bromo,4-bromobenzene ethanol |
| IUPAC Name | 2-(4-bromophenyl)ethanol |
| InChI Key | PMOSJSPFNDUAFY-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
Diphenyl chlorophosphate, 98%
CAS: 2524-64-3 Molecular Formula: C12H10ClO3P Molecular Weight (g/mol): 268.63 MDL Number: MFCD00003030 InChI Key: BHIIGRBMZRSDRI-UHFFFAOYSA-N Synonym: diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride PubChem CID: 75654 IUPAC Name: [chloro(phenoxy)phosphoryl]oxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl
| PubChem CID | 75654 |
|---|---|
| CAS | 2524-64-3 |
| Molecular Weight (g/mol) | 268.63 |
| MDL Number | MFCD00003030 |
| SMILES | C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl |
| Synonym | diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride |
| IUPAC Name | [chloro(phenoxy)phosphoryl]oxybenzene |
| InChI Key | BHIIGRBMZRSDRI-UHFFFAOYSA-N |
| Molecular Formula | C12H10ClO3P |
4-Ethoxy-3-methoxybenzaldehyde, 95%, Thermo Scientific™
CAS: 120-25-2 MDL Number: MFCD00016614 InChI Key: BERFDQAMXIBOHM-UHFFFAOYSA-N Synonym: 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 PubChem CID: 67116 IUPAC Name: 4-ethoxy-3-methoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OC
| PubChem CID | 67116 |
|---|---|
| CAS | 120-25-2 |
| MDL Number | MFCD00016614 |
| SMILES | CCOC1=C(C=C(C=C1)C=O)OC |
| Synonym | 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 |
| IUPAC Name | 4-ethoxy-3-methoxybenzaldehyde |
| InChI Key | BERFDQAMXIBOHM-UHFFFAOYSA-N |
5-Fluoro-2-methylaniline, 99%
CAS: 367-29-3 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007764 InChI Key: JLCDTNNLXUMYFQ-UHFFFAOYSA-N Synonym: 2-amino-4-fluorotoluene,5-fluoro-o-toluidine,3-fluoro-6-methylaniline,2-methyl-5-fluoroaniline,benzenamine, 5-fluoro-2-methyl,5-fluoro-2-methyl-phenylamine,5-fluoro-2-methyl-aniline,5-fluoro-2-methylphenylamine,5-fluor-2-methylanilin PubChem CID: 67774 IUPAC Name: 5-fluoro-2-methylaniline SMILES: CC1=CC=C(F)C=C1N
| PubChem CID | 67774 |
|---|---|
| CAS | 367-29-3 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD00007764 |
| SMILES | CC1=CC=C(F)C=C1N |
| Synonym | 2-amino-4-fluorotoluene,5-fluoro-o-toluidine,3-fluoro-6-methylaniline,2-methyl-5-fluoroaniline,benzenamine, 5-fluoro-2-methyl,5-fluoro-2-methyl-phenylamine,5-fluoro-2-methyl-aniline,5-fluoro-2-methylphenylamine,5-fluor-2-methylanilin |
| IUPAC Name | 5-fluoro-2-methylaniline |
| InChI Key | JLCDTNNLXUMYFQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
Phenyl carbamate, 98+%
CAS: 622-46-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007961 InChI Key: BSCCSDNZEIHXOK-UHFFFAOYSA-N Synonym: carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate PubChem CID: 69322 IUPAC Name: phenyl carbamate SMILES: C1=CC=C(C=C1)OC(=O)N
| PubChem CID | 69322 |
|---|---|
| CAS | 622-46-8 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00007961 |
| SMILES | C1=CC=C(C=C1)OC(=O)N |
| Synonym | carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate |
| IUPAC Name | phenyl carbamate |
| InChI Key | BSCCSDNZEIHXOK-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Ethyl 3-chlorobenzoate, 98+%
CAS: 1128-76-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00013634 InChI Key: LVFRSNCBCHABAM-UHFFFAOYSA-N Synonym: benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 PubChem CID: 70785 IUPAC Name: ethyl 3-chlorobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Cl
| PubChem CID | 70785 |
|---|---|
| CAS | 1128-76-3 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD00013634 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)Cl |
| Synonym | benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 |
| IUPAC Name | ethyl 3-chlorobenzoate |
| InChI Key | LVFRSNCBCHABAM-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
(2-Butyl)triphenylphosphonium bromide, 96%
CAS: 3968-92-1 Molecular Formula: C22H24BrP Molecular Weight (g/mol): 399.31 MDL Number: MFCD00050236 InChI Key: HKWAYXKPYJOYEL-UHFFFAOYNA-M Synonym: 2-butyl triphenylphosphonium bromide,sec-butyltriphenylphosphonium bromide,triphenyl sec-butyl phosphanium bromide,acmc-1cswd,butan-2-yl triphenyl phosphanium bromide,phosphonium, 1-methylpropyl triphenyl-, bromide 1:1 PubChem CID: 3083826 IUPAC Name: butan-2-yl(triphenyl)phosphanium;bromide SMILES: [Br-].CCC(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 3083826 |
|---|---|
| CAS | 3968-92-1 |
| Molecular Weight (g/mol) | 399.31 |
| MDL Number | MFCD00050236 |
| SMILES | [Br-].CCC(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-butyl triphenylphosphonium bromide,sec-butyltriphenylphosphonium bromide,triphenyl sec-butyl phosphanium bromide,acmc-1cswd,butan-2-yl triphenyl phosphanium bromide,phosphonium, 1-methylpropyl triphenyl-, bromide 1:1 |
| IUPAC Name | butan-2-yl(triphenyl)phosphanium;bromide |
| InChI Key | HKWAYXKPYJOYEL-UHFFFAOYNA-M |
| Molecular Formula | C22H24BrP |
3-Fluorophenyl isocyanate, 97+%
CAS: 404-71-7 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.11 MDL Number: MFCD00002015 InChI Key: RIKWVZGZRYDACA-UHFFFAOYSA-N Synonym: 3-fluorophenyl isocyanate,m-fluorophenyl isocyanate,3-fluorophenylisocyanate,m-fluorophenylisocyanate,benzene, 1-fluoro-3-isocyanato,3-isocyanatofluorobenzene,isocyanic acid 3-fluorophenyl ester,3-fluorobenzenisocyanate,pubchem4995,acmc-1ajez PubChem CID: 123064 IUPAC Name: 1-fluoro-3-isocyanatobenzene SMILES: FC1=CC=CC(=C1)N=C=O
| PubChem CID | 123064 |
|---|---|
| CAS | 404-71-7 |
| Molecular Weight (g/mol) | 137.11 |
| MDL Number | MFCD00002015 |
| SMILES | FC1=CC=CC(=C1)N=C=O |
| Synonym | 3-fluorophenyl isocyanate,m-fluorophenyl isocyanate,3-fluorophenylisocyanate,m-fluorophenylisocyanate,benzene, 1-fluoro-3-isocyanato,3-isocyanatofluorobenzene,isocyanic acid 3-fluorophenyl ester,3-fluorobenzenisocyanate,pubchem4995,acmc-1ajez |
| IUPAC Name | 1-fluoro-3-isocyanatobenzene |
| InChI Key | RIKWVZGZRYDACA-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO |
4,4'-Dimethylbenzophenone, 98+%
CAS: 611-97-2 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00017214 InChI Key: ZWPWLKXZYNXATK-UHFFFAOYSA-N Synonym: 4,4'-dimethylbenzophenone,p-tolyl ketone,bis 4-methylphenyl methanone,di-p-tolyl ketone,methanone, bis 4-methylphenyl,p,p'-dimethylbenzophenone,p,p'-dimethyl di-phenyl ketone,bis-p-tolylmethanone,benzophenone, 4,4'-dimethyl,4,4-dimethylbenzophenone PubChem CID: 69148 IUPAC Name: bis(4-methylphenyl)methanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
| PubChem CID | 69148 |
|---|---|
| CAS | 611-97-2 |
| Molecular Weight (g/mol) | 210.276 |
| MDL Number | MFCD00017214 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C |
| Synonym | 4,4'-dimethylbenzophenone,p-tolyl ketone,bis 4-methylphenyl methanone,di-p-tolyl ketone,methanone, bis 4-methylphenyl,p,p'-dimethylbenzophenone,p,p'-dimethyl di-phenyl ketone,bis-p-tolylmethanone,benzophenone, 4,4'-dimethyl,4,4-dimethylbenzophenone |
| IUPAC Name | bis(4-methylphenyl)methanone |
| InChI Key | ZWPWLKXZYNXATK-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
Methyl 2-chloro-4-fluorophenylacetate, 98%
CAS: 214262-88-1 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD00800611 InChI Key: DFTYYBRLWCAUHP-UHFFFAOYSA-N Synonym: methyl 2-2-chloro-4-fluorophenyl acetate,methyl 2-chloro-4-fluorophenylacetate,benzeneacetic acid, 2-chloro-4-fluoro-, methyl ester,methyl-2-chloro-4-fluorophenylacetate,pubchem16488,methyl 2-chloro-4-fluorophenyl acetate,methyl2-2-chloro-4-fluorophenyl acetate,2-chloro-4-fluorophenyl-acetic acid methyl ester,2-chloro-4-fluorophenyl acetic acid methyl ester,methyl 2-chloro-4-fluorophenylacetate 98 PubChem CID: 736123 IUPAC Name: methyl 2-(2-chloro-4-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=C(F)C=C1Cl
| PubChem CID | 736123 |
|---|---|
| CAS | 214262-88-1 |
| Molecular Weight (g/mol) | 202.61 |
| MDL Number | MFCD00800611 |
| SMILES | COC(=O)CC1=CC=C(F)C=C1Cl |
| Synonym | methyl 2-2-chloro-4-fluorophenyl acetate,methyl 2-chloro-4-fluorophenylacetate,benzeneacetic acid, 2-chloro-4-fluoro-, methyl ester,methyl-2-chloro-4-fluorophenylacetate,pubchem16488,methyl 2-chloro-4-fluorophenyl acetate,methyl2-2-chloro-4-fluorophenyl acetate,2-chloro-4-fluorophenyl-acetic acid methyl ester,2-chloro-4-fluorophenyl acetic acid methyl ester,methyl 2-chloro-4-fluorophenylacetate 98 |
| IUPAC Name | methyl 2-(2-chloro-4-fluorophenyl)acetate |
| InChI Key | DFTYYBRLWCAUHP-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClFO2 |
(Triphenylphosphoranylidene)acetaldehyde, 97%
CAS: 2136-75-6 Molecular Formula: C20H17OP Molecular Weight (g/mol): 304.33 MDL Number: MFCD00006994 InChI Key: CQCAYWAIRTVXIY-UHFFFAOYSA-N Synonym: 2-triphenylphosphoranylidene acetaldehyde,formylmethylene triphenylphosphorane,triphenylphosphoranylidene acetaldehyde,formylmethylenetriphenylphosphorane,acetaldehyde, triphenylphosphoranylidene,2-triphenyl-??-phosphanylidene acetaldehyde,acmc-209fjg,ksc492c5l PubChem CID: 75051 IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)acetaldehyde SMILES: C1=CC=C(C=C1)P(=CC=O)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 75051 |
|---|---|
| CAS | 2136-75-6 |
| Molecular Weight (g/mol) | 304.33 |
| MDL Number | MFCD00006994 |
| SMILES | C1=CC=C(C=C1)P(=CC=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | 2-triphenylphosphoranylidene acetaldehyde,formylmethylene triphenylphosphorane,triphenylphosphoranylidene acetaldehyde,formylmethylenetriphenylphosphorane,acetaldehyde, triphenylphosphoranylidene,2-triphenyl-??-phosphanylidene acetaldehyde,acmc-209fjg,ksc492c5l |
| IUPAC Name | 2-(triphenyl-$l^{5}-phosphanylidene)acetaldehyde |
| InChI Key | CQCAYWAIRTVXIY-UHFFFAOYSA-N |
| Molecular Formula | C20H17OP |