Benzene and substituted derivatives
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2-Acetamidobenzaldehyde 98.0+%, TCI America™
CAS: 13493-47-5 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD06739581 InChI Key: OWMJAQBUFVTERI-UHFFFAOYSA-N PubChem CID: 326664 IUPAC Name: N-(2-formylphenyl)acetamide SMILES: CC(=O)NC1=CC=CC=C1C=O
| PubChem CID | 326664 |
|---|---|
| CAS | 13493-47-5 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD06739581 |
| SMILES | CC(=O)NC1=CC=CC=C1C=O |
| IUPAC Name | N-(2-formylphenyl)acetamide |
| InChI Key | OWMJAQBUFVTERI-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
4-Fluorobenzoic Acid 98.0+%, TCI America™
CAS: 456-22-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 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) | 140.113 |
| 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-tert-Butylaniline 98.0+%, TCI America™
CAS: 769-92-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00007899 InChI Key: WRDWWAVNELMWAM-UHFFFAOYSA-N Synonym: 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine PubChem CID: 69861 IUPAC Name: 4-tert-butylaniline SMILES: CC(C)(C)C1=CC=C(C=C1)N
| PubChem CID | 69861 |
|---|---|
| CAS | 769-92-6 |
| Molecular Weight (g/mol) | 149.237 |
| MDL Number | MFCD00007899 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)N |
| Synonym | 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine |
| IUPAC Name | 4-tert-butylaniline |
| InChI Key | WRDWWAVNELMWAM-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
Neopentylbenzene 97.0+%, TCI America™
CAS: 1007-26-7 Molecular Formula: C11H16 Molecular Weight (g/mol): 148.249 MDL Number: MFCD00038279 InChI Key: CJGXJKVMUHXVHL-UHFFFAOYSA-N Synonym: neopentylbenzene,benzene, 2,2-dimethylpropyl,neopentyl benzene,benzene, neopentyl,2,2-dimethyl-1-propyl benzene,unii-7mhd03e509,2,2-dimethylpropyl benzene,1-neopentylbenzene,acmc-1bs8x PubChem CID: 13877 IUPAC Name: 2,2-dimethylpropylbenzene SMILES: CC(C)(C)CC1=CC=CC=C1
| PubChem CID | 13877 |
|---|---|
| CAS | 1007-26-7 |
| Molecular Weight (g/mol) | 148.249 |
| MDL Number | MFCD00038279 |
| SMILES | CC(C)(C)CC1=CC=CC=C1 |
| Synonym | neopentylbenzene,benzene, 2,2-dimethylpropyl,neopentyl benzene,benzene, neopentyl,2,2-dimethyl-1-propyl benzene,unii-7mhd03e509,2,2-dimethylpropyl benzene,1-neopentylbenzene,acmc-1bs8x |
| IUPAC Name | 2,2-dimethylpropylbenzene |
| InChI Key | CJGXJKVMUHXVHL-UHFFFAOYSA-N |
| Molecular Formula | C11H16 |
Pentafluorophenyl 4-Nitrobenzenesulfonate 98.0+%, TCI America™
CAS: 244633-31-6 Molecular Formula: C12H4F5NO5S Molecular Weight (g/mol): 369.22 MDL Number: MFCD05975120 InChI Key: DQKVZFMQPLLPMR-UHFFFAOYSA-N Synonym: 4-Nitrobenzenesulfonic Acid Pentafluorophenyl Ester PubChem CID: 2783096 IUPAC Name: 2,3,4,5,6-pentafluorophenyl 4-nitrobenzene-1-sulfonate SMILES: [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 2783096 |
|---|---|
| CAS | 244633-31-6 |
| Molecular Weight (g/mol) | 369.22 |
| MDL Number | MFCD05975120 |
| SMILES | [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | 4-Nitrobenzenesulfonic Acid Pentafluorophenyl Ester |
| IUPAC Name | 2,3,4,5,6-pentafluorophenyl 4-nitrobenzene-1-sulfonate |
| InChI Key | DQKVZFMQPLLPMR-UHFFFAOYSA-N |
| Molecular Formula | C12H4F5NO5S |
2-Bromo-5-fluorobenzonitrile 97.0+%, TCI America™
CAS: 57381-39-2 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00142875 InChI Key: MDHNVHCZDCSTMS-UHFFFAOYSA-N Synonym: 2-bromo-5-fluorobenzenecarbonitrile,2-bromo-5-fluoro-benzonitrile,benzonitrile, 2-bromo-5-fluoro,2-cyano-4-fluorobromobenzene,pubchem3218,bromofluorobenzonitrile2,acmc-1awgr,brc6h3 f cn,ksc496i7h,2-bromo-5-fluorobenzonitrile PubChem CID: 93654 IUPAC Name: 2-bromo-5-fluorobenzonitrile SMILES: FC1=CC=C(Br)C(=C1)C#N
| PubChem CID | 93654 |
|---|---|
| CAS | 57381-39-2 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD00142875 |
| SMILES | FC1=CC=C(Br)C(=C1)C#N |
| Synonym | 2-bromo-5-fluorobenzenecarbonitrile,2-bromo-5-fluoro-benzonitrile,benzonitrile, 2-bromo-5-fluoro,2-cyano-4-fluorobromobenzene,pubchem3218,bromofluorobenzonitrile2,acmc-1awgr,brc6h3 f cn,ksc496i7h,2-bromo-5-fluorobenzonitrile |
| IUPAC Name | 2-bromo-5-fluorobenzonitrile |
| InChI Key | MDHNVHCZDCSTMS-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |
Diamyl Phthalate 98.0+%, TCI America™
CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.402 MDL Number: MFCD00041934 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N Synonym: dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester PubChem CID: 8561 ChEBI: CHEBI:34680 IUPAC Name: dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
| PubChem CID | 8561 |
|---|---|
| CAS | 131-18-0 |
| Molecular Weight (g/mol) | 306.402 |
| ChEBI | CHEBI:34680 |
| MDL Number | MFCD00041934 |
| SMILES | CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC |
| Synonym | dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester |
| IUPAC Name | dipentyl benzene-1,2-dicarboxylate |
| InChI Key | IPKKHRVROFYTEK-UHFFFAOYSA-N |
| Molecular Formula | C18H26O4 |
4-Iodobenzyl Bromide 97.0+%, TCI America™
CAS: 16004-15-2 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.933 MDL Number: MFCD00209656 InChI Key: BQTRMYJYYNQQGK-UHFFFAOYSA-N Synonym: 4-iodobenzyl bromide,1-bromomethyl-4-iodobenzene,4-iodobenzylbromide,p-iodobenzyl bromide,1-bromomethyl-4-iodo-benzene,alpha-bromo-4-iodotoluene,4-bromomethyl-1-iodobenzene,benzene, 1-bromomethyl-4-iodo,4-iodo benzyl bromide PubChem CID: 954258 IUPAC Name: 1-(bromomethyl)-4-iodobenzene SMILES: C1=CC(=CC=C1CBr)I
| PubChem CID | 954258 |
|---|---|
| CAS | 16004-15-2 |
| Molecular Weight (g/mol) | 296.933 |
| MDL Number | MFCD00209656 |
| SMILES | C1=CC(=CC=C1CBr)I |
| Synonym | 4-iodobenzyl bromide,1-bromomethyl-4-iodobenzene,4-iodobenzylbromide,p-iodobenzyl bromide,1-bromomethyl-4-iodo-benzene,alpha-bromo-4-iodotoluene,4-bromomethyl-1-iodobenzene,benzene, 1-bromomethyl-4-iodo,4-iodo benzyl bromide |
| IUPAC Name | 1-(bromomethyl)-4-iodobenzene |
| InChI Key | BQTRMYJYYNQQGK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrI |
1-Naphthyloxyacetic Acid 98.0+%, TCI America™
CAS: 2976-75-2 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD00003927 InChI Key: GHRYSOFWKRRLMI-UHFFFAOYSA-N Synonym: 1-naphthoxyacetic acid,1-naphthyloxy acetic acid,2-naphthalen-1-yloxy acetic acid,1-naphthyloxyacetic acid,naphthyloxyacetic acid,2-1-naphthyloxy acetic acid,unii-9qi2464poa,1-naphthoxy acetic acid,naphthalen-1-yloxy acetic acid,acetic acid, 1-naphthalenyloxy PubChem CID: 76313 ChEBI: CHEBI:44588 IUPAC Name: 2-naphthalen-1-yloxyacetic acid SMILES: C1=CC=C2C(=C1)C=CC=C2OCC(=O)O
| PubChem CID | 76313 |
|---|---|
| CAS | 2976-75-2 |
| Molecular Weight (g/mol) | 202.209 |
| ChEBI | CHEBI:44588 |
| MDL Number | MFCD00003927 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2OCC(=O)O |
| Synonym | 1-naphthoxyacetic acid,1-naphthyloxy acetic acid,2-naphthalen-1-yloxy acetic acid,1-naphthyloxyacetic acid,naphthyloxyacetic acid,2-1-naphthyloxy acetic acid,unii-9qi2464poa,1-naphthoxy acetic acid,naphthalen-1-yloxy acetic acid,acetic acid, 1-naphthalenyloxy |
| IUPAC Name | 2-naphthalen-1-yloxyacetic acid |
| InChI Key | GHRYSOFWKRRLMI-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
| PubChem CID | 2734364 |
|---|---|
| CAS | 149104-88-1 |
| MDL Number | MFCD01630820 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| InChI Key | VDUKDQTYMWUSAC-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO4S |
| Formula Weight | 200.02 |
| Melting Point | 293°C |
Tetraphenylphosphonium Bromide 98.0+%, TCI America™
CAS: 2751-90-8 Molecular Formula: C24H20BrP Molecular Weight (g/mol): 419.30 MDL Number: MFCD00011915 InChI Key: BRKFQVAOMSWFDU-UHFFFAOYSA-M Synonym: tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide PubChem CID: 2724163 IUPAC Name: tetraphenylphosphanium bromide SMILES: [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724163 |
|---|---|
| CAS | 2751-90-8 |
| Molecular Weight (g/mol) | 419.30 |
| MDL Number | MFCD00011915 |
| SMILES | [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide |
| IUPAC Name | tetraphenylphosphanium bromide |
| InChI Key | BRKFQVAOMSWFDU-UHFFFAOYSA-M |
| Molecular Formula | C24H20BrP |
Methyl 5-Amino-2-methylbenzoate 98.0+%, TCI America™
CAS: 18595-12-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD08752568 InChI Key: JNPZKGOLYSCSEL-UHFFFAOYSA-N Synonym: 5-amino-2-methyl-benzoic acid methyl ester,5-amino-2-methylbenzoic acid methyl ester,5-amino-2-methyl benzoic acid methyl ester,benzoic acid,5-amino-2-methyl-, methyl ester,benzoic acid, 5-amino-2-methyl-, methyl ester,2-methyl-5-aminobenzoicacidmethylester,methyl 5-amino-o-toluate,methyl 2-methyl-5-aminobenzoate,methyl 3-amino-6-methylbenzoate,methyl 5-amino-2-methyl-benzoate PubChem CID: 15049977 IUPAC Name: methyl 5-amino-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=CC(N)=C1
| PubChem CID | 15049977 |
|---|---|
| CAS | 18595-12-5 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD08752568 |
| SMILES | COC(=O)C1=C(C)C=CC(N)=C1 |
| Synonym | 5-amino-2-methyl-benzoic acid methyl ester,5-amino-2-methylbenzoic acid methyl ester,5-amino-2-methyl benzoic acid methyl ester,benzoic acid,5-amino-2-methyl-, methyl ester,benzoic acid, 5-amino-2-methyl-, methyl ester,2-methyl-5-aminobenzoicacidmethylester,methyl 5-amino-o-toluate,methyl 2-methyl-5-aminobenzoate,methyl 3-amino-6-methylbenzoate,methyl 5-amino-2-methyl-benzoate |
| IUPAC Name | methyl 5-amino-2-methylbenzoate |
| InChI Key | JNPZKGOLYSCSEL-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
3-Cyanobenzoic Acid 98.0+%, TCI America™
CAS: 1877-72-1 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002486 InChI Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N Synonym: m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid PubChem CID: 15875 IUPAC Name: 3-cyanobenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C#N
| PubChem CID | 15875 |
|---|---|
| CAS | 1877-72-1 |
| Molecular Weight (g/mol) | 147.133 |
| MDL Number | MFCD00002486 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C#N |
| Synonym | m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid |
| IUPAC Name | 3-cyanobenzoic acid |
| InChI Key | GYLKKXHEIIFTJH-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
4-Chloro-2-methylbenzyl Alcohol 98.0+%, TCI America™
CAS: 129716-11-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD06201140 InChI Key: AHXBDGJNZJKLNE-UHFFFAOYSA-N Synonym: 4-chloro-2-methylphenyl methanol,4-chloro-2-methylbenzyl alcohol,benzenemethanol, 4-chloro-2-methyl,acmc-20aaxd,4-chloro-2-methylbenzylalcohol,4-chloro-2-methyl-phenyl-methanol PubChem CID: 2757669 IUPAC Name: (4-chloro-2-methylphenyl)methanol SMILES: CC1=C(C=CC(=C1)Cl)CO
| PubChem CID | 2757669 |
|---|---|
| CAS | 129716-11-6 |
| Molecular Weight (g/mol) | 156.609 |
| MDL Number | MFCD06201140 |
| SMILES | CC1=C(C=CC(=C1)Cl)CO |
| Synonym | 4-chloro-2-methylphenyl methanol,4-chloro-2-methylbenzyl alcohol,benzenemethanol, 4-chloro-2-methyl,acmc-20aaxd,4-chloro-2-methylbenzylalcohol,4-chloro-2-methyl-phenyl-methanol |
| IUPAC Name | (4-chloro-2-methylphenyl)methanol |
| InChI Key | AHXBDGJNZJKLNE-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
4,4'-Dihexyloxybiphenyl 98.0+%, TCI America™
CAS: 142450-58-6 Molecular Formula: C24H34O2 Molecular Weight (g/mol): 354.534 MDL Number: MFCD00059438 InChI Key: NPALUNJGWGOZQN-UHFFFAOYSA-N PubChem CID: 604320 IUPAC Name: 1-hexoxy-4-(4-hexoxyphenyl)benzene SMILES: CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCC
| PubChem CID | 604320 |
|---|---|
| CAS | 142450-58-6 |
| Molecular Weight (g/mol) | 354.534 |
| MDL Number | MFCD00059438 |
| SMILES | CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCC |
| IUPAC Name | 1-hexoxy-4-(4-hexoxyphenyl)benzene |
| InChI Key | NPALUNJGWGOZQN-UHFFFAOYSA-N |
| Molecular Formula | C24H34O2 |