Benzene and substituted derivatives
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(2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
2,6-Dichlorostyrene, 96%, stab. with 0.1% 4-tert-butylcatechol
CAS: 28469-92-3 Molecular Formula: C8H6Cl2 Molecular Weight (g/mol): 173.04 MDL Number: MFCD00000579 InChI Key: YJCVRMIJBXTMNR-UHFFFAOYSA-N Synonym: 2,6-dichlorostyrene,1,3-dichloro-2-vinylbenzene,benzene, 1,3-dichloro-2-ethenyl,2,6-dichlorstyrol,acmc-20ao92,1,3-dichloro-2-vinylbenzene #,2,6-dichlorostyrene, stabilized 5g PubChem CID: 34254 IUPAC Name: 1,3-dichloro-2-ethenylbenzene SMILES: ClC1=CC=CC(Cl)=C1C=C
| PubChem CID | 34254 |
|---|---|
| CAS | 28469-92-3 |
| Molecular Weight (g/mol) | 173.04 |
| MDL Number | MFCD00000579 |
| SMILES | ClC1=CC=CC(Cl)=C1C=C |
| Synonym | 2,6-dichlorostyrene,1,3-dichloro-2-vinylbenzene,benzene, 1,3-dichloro-2-ethenyl,2,6-dichlorstyrol,acmc-20ao92,1,3-dichloro-2-vinylbenzene #,2,6-dichlorostyrene, stabilized 5g |
| IUPAC Name | 1,3-dichloro-2-ethenylbenzene |
| InChI Key | YJCVRMIJBXTMNR-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2 |
3-Methoxyphenylglyoxal hydrate, 97%, dry wt. basis, Thermo Scientific Chemicals
CAS: 32025-65-3 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD08533286 InChI Key: SIHYQEYAJMDKQH-UHFFFAOYSA-N Synonym: 3-methoxyphenylglyoxal hydrate,2-3-methoxyphenyl-2-oxoacetaldehyde hydrate,acmc-1c24s,bestipharma 555-843,3-methoxyphenylglyoxal monohydrate,ethanone,2,2-dihydroxy-1-3-methylphenyl,3-methoxyphenyl oxo acetaldehyde-water 1/1,2-3-methoxyphenyl-2-oxidanylidene-ethanal hydrate PubChem CID: 21155397 IUPAC Name: 2-(3-methoxyphenyl)-2-oxoacetaldehyde;hydrate SMILES: COC1=CC=CC(=C1)C(=O)C=O
| PubChem CID | 21155397 |
|---|---|
| CAS | 32025-65-3 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD08533286 |
| SMILES | COC1=CC=CC(=C1)C(=O)C=O |
| Synonym | 3-methoxyphenylglyoxal hydrate,2-3-methoxyphenyl-2-oxoacetaldehyde hydrate,acmc-1c24s,bestipharma 555-843,3-methoxyphenylglyoxal monohydrate,ethanone,2,2-dihydroxy-1-3-methylphenyl,3-methoxyphenyl oxo acetaldehyde-water 1/1,2-3-methoxyphenyl-2-oxidanylidene-ethanal hydrate |
| IUPAC Name | 2-(3-methoxyphenyl)-2-oxoacetaldehyde;hydrate |
| InChI Key | SIHYQEYAJMDKQH-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
4-Pentylbenzoic acid, 97%, Thermo Scientific™
CAS: 26311-45-5 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00002572 InChI Key: CWYNKKGQJYAHQG-UHFFFAOYSA-N Synonym: benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid PubChem CID: 33479 IUPAC Name: 4-pentylbenzoic acid SMILES: CCCCCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 33479 |
|---|---|
| CAS | 26311-45-5 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00002572 |
| SMILES | CCCCCC1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-pentyl,4-n-pentylbenzoic acid,p-pentylbenzoic acid,4-amylbenzoic acid,p-amylbenzoic acid,para-pentylbenzoic acid,benzoic acid, p-pentyl,4-pentyl benzoic acid,p-n-pentylbenzoic acid,4-pentylbenzoicacid |
| IUPAC Name | 4-pentylbenzoic acid |
| InChI Key | CWYNKKGQJYAHQG-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
2,4,6-Trimethylbenzoic acid, 99%
CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1
| PubChem CID | 10194 |
|---|---|
| CAS | 480-63-7 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:64830 |
| MDL Number | MFCD00002481 |
| SMILES | CC1=CC(C)=C(C(O)=O)C(C)=C1 |
| Synonym | mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl |
| IUPAC Name | 2,4,6-trimethylbenzoic acid |
| InChI Key | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
4-Bromobenzenediazonium tetrafluoroborate, 96%
CAS: 673-40-5 Molecular Formula: C6H4BBrF4N2 Molecular Weight (g/mol): 270.82 MDL Number: MFCD00011894 InChI Key: FXTCQUCYDJZGGU-UHFFFAOYSA-N Synonym: 4-bromobenzenediazonium tetrafluoroborate,acmc-209nyn,4-bromobenzene-1-diazonium; tetrafluoroboranuide,boron +3 cation; 4-bromobenzenediazonium; tetrafluoride PubChem CID: 2734810 IUPAC Name: 4-bromobenzenediazonium;tetrafluoroborate SMILES: F[B-](F)(F)F.BrC1=CC=C(C=C1)[N+]#N
| PubChem CID | 2734810 |
|---|---|
| CAS | 673-40-5 |
| Molecular Weight (g/mol) | 270.82 |
| MDL Number | MFCD00011894 |
| SMILES | F[B-](F)(F)F.BrC1=CC=C(C=C1)[N+]#N |
| Synonym | 4-bromobenzenediazonium tetrafluoroborate,acmc-209nyn,4-bromobenzene-1-diazonium; tetrafluoroboranuide,boron +3 cation; 4-bromobenzenediazonium; tetrafluoride |
| IUPAC Name | 4-bromobenzenediazonium;tetrafluoroborate |
| InChI Key | FXTCQUCYDJZGGU-UHFFFAOYSA-N |
| Molecular Formula | C6H4BBrF4N2 |
5-Methyl-2-nitrobenzoic acid, 98+%
CAS: 3113-72-2 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007368 InChI Key: QRRSIFNWHCKMSW-UHFFFAOYSA-N Synonym: 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro PubChem CID: 18371 SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 18371 |
|---|---|
| CAS | 3113-72-2 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007368 |
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| Synonym | 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro |
| InChI Key | QRRSIFNWHCKMSW-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
N-Methyl-N-(2-thien-2-ylbenzyl)amine, 97%, Thermo Scientific™
CAS: 852180-66-6 Molecular Formula: C12H13NS Molecular Weight (g/mol): 203.303 MDL Number: MFCD07368538 InChI Key: MRKJJEJYTBOUTH-UHFFFAOYSA-N Synonym: n-methyl-n-2-thien-2-ylbenzyl amine,n-methyl-1-2-thiophen-2-ylphenyl methanamine,n-methyl-2-thien-2-ylbenzylamine,methyl 2-thiophen-2-yl phenyl methyl amine,n-methyl-1-2-thiophen-2-yl phenyl methanamine,d0a2yg,n-methyl-n-2-thiophen-2-ylbenzyl amine,methyl 2-2-thienyl phenyl methyl amine,benzenemethanamine,n-methyl-2-2-thienyl,benzenemethanamine, n-methyl-2-2-thienyl PubChem CID: 7060565 IUPAC Name: N-methyl-1-(2-thiophen-2-ylphenyl)methanamine SMILES: CNCC1=CC=CC=C1C2=CC=CS2
| PubChem CID | 7060565 |
|---|---|
| CAS | 852180-66-6 |
| Molecular Weight (g/mol) | 203.303 |
| MDL Number | MFCD07368538 |
| SMILES | CNCC1=CC=CC=C1C2=CC=CS2 |
| Synonym | n-methyl-n-2-thien-2-ylbenzyl amine,n-methyl-1-2-thiophen-2-ylphenyl methanamine,n-methyl-2-thien-2-ylbenzylamine,methyl 2-thiophen-2-yl phenyl methyl amine,n-methyl-1-2-thiophen-2-yl phenyl methanamine,d0a2yg,n-methyl-n-2-thiophen-2-ylbenzyl amine,methyl 2-2-thienyl phenyl methyl amine,benzenemethanamine,n-methyl-2-2-thienyl,benzenemethanamine, n-methyl-2-2-thienyl |
| IUPAC Name | N-methyl-1-(2-thiophen-2-ylphenyl)methanamine |
| InChI Key | MRKJJEJYTBOUTH-UHFFFAOYSA-N |
| Molecular Formula | C12H13NS |
4-Chloro-3-(trifluoromethyl)phenyl isothiocyanate, 97%
CAS: 23163-86-2 Molecular Formula: C8H3ClF3NS Molecular Weight (g/mol): 237.624 MDL Number: MFCD00041090 InChI Key: AHFPRSSHNSGRCU-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisothiocyanate,4-chloro-3-trifluoromethylphenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-chloro-4-isothiocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethyl benzenisothiocyanate,acmc-20amlf,pubchem5016,4-chloro-3-trifluoromethylphenylisothiocyanate PubChem CID: 520026 IUPAC Name: 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1N=C=S)C(F)(F)F)Cl
| PubChem CID | 520026 |
|---|---|
| CAS | 23163-86-2 |
| Molecular Weight (g/mol) | 237.624 |
| MDL Number | MFCD00041090 |
| SMILES | C1=CC(=C(C=C1N=C=S)C(F)(F)F)Cl |
| Synonym | 4-chloro-3-trifluoromethyl phenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisothiocyanate,4-chloro-3-trifluoromethylphenyl isothiocyanate,1-chloro-4-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-chloro-4-isothiocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethyl benzenisothiocyanate,acmc-20amlf,pubchem5016,4-chloro-3-trifluoromethylphenylisothiocyanate |
| IUPAC Name | 1-chloro-4-isothiocyanato-2-(trifluoromethyl)benzene |
| InChI Key | AHFPRSSHNSGRCU-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF3NS |
4-Iodo-3-nitroanisole, 98+%
CAS: 58755-70-7 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD00024195 InChI Key: JWZODIRSJJQOKY-UHFFFAOYSA-N Synonym: 4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569 PubChem CID: 292659 IUPAC Name: 1-iodo-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)I)[N+](=O)[O-]
| PubChem CID | 292659 |
|---|---|
| CAS | 58755-70-7 |
| Molecular Weight (g/mol) | 279.033 |
| MDL Number | MFCD00024195 |
| SMILES | COC1=CC(=C(C=C1)I)[N+](=O)[O-] |
| Synonym | 4-iodo-3-nitroanisole,3-nitro-4-iodoanisole,2-iodo-5-methoxynitrobenzene,1-iodo-4-methoxy-2-nitro-benzene,benzene, 1-iodo-4-methoxy-2-nitro,3-nitro-4-iodoanisol,acmc-1b13g,ksc494s9p,1-iodo-2-nitro-4-methoxybenzene,attercop-chm at115569 |
| IUPAC Name | 1-iodo-4-methoxy-2-nitrobenzene |
| InChI Key | JWZODIRSJJQOKY-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO3 |
1-(4-Iodophenyl)hydrazine 95%, Thermo Scientific™
CAS: 13116-27-3 Molecular Formula: C6H7IN2 Molecular Weight (g/mol): 234.04 InChI Key: IQMLCMKMSBMMGR-UHFFFAOYSA-N Synonym: 4-iodophenyl hydrazine,1-4-iodophenyl hydrazine,4-iodo-phenyl-hydrazine,4-iodo phenyl hydrazine,p-iodophenyl-hydrazine,4-iodophenyl diazane,pubchem15797,acmc-1brf1,1-hydrazino-4-iodobenzene,4-iodophenylhydrazine PubChem CID: 704591 IUPAC Name: (4-iodophenyl)hydrazine SMILES: C1=CC(=CC=C1NN)I
| PubChem CID | 704591 |
|---|---|
| CAS | 13116-27-3 |
| Molecular Weight (g/mol) | 234.04 |
| SMILES | C1=CC(=CC=C1NN)I |
| Synonym | 4-iodophenyl hydrazine,1-4-iodophenyl hydrazine,4-iodo-phenyl-hydrazine,4-iodo phenyl hydrazine,p-iodophenyl-hydrazine,4-iodophenyl diazane,pubchem15797,acmc-1brf1,1-hydrazino-4-iodobenzene,4-iodophenylhydrazine |
| IUPAC Name | (4-iodophenyl)hydrazine |
| InChI Key | IQMLCMKMSBMMGR-UHFFFAOYSA-N |
| Molecular Formula | C6H7IN2 |
2-Ethylphenylhydrazine hydrochloride, 97%
CAS: 19398-06-2 Molecular Formula: C8H12N2 Molecular Weight (g/mol): 136.20 MDL Number: MFCD00071599 InChI Key: JHPOWXCLWLEKBY-UHFFFAOYSA-N Synonym: 2-ethylphenylhydrazine hydrochloride,2-ethylphenyl hydrazine hydrochloride,2-ethylphenyl hydrazine hcl,2-ethylphenylhydrazine, hcl,1-2-ethylphenyl hydrazine hydrochloride,2-ethyl phenyl hydrazine hydrochloride,2-ethylphenylhydrazinehydrochloride,hydrazine, 2-ethylphenyl-, monohydrochloride,2-ethylphenylhydrazine, chloride PubChem CID: 2733209 SMILES: CCC1=CC=CC=C1NN
| PubChem CID | 2733209 |
|---|---|
| CAS | 19398-06-2 |
| Molecular Weight (g/mol) | 136.20 |
| MDL Number | MFCD00071599 |
| SMILES | CCC1=CC=CC=C1NN |
| Synonym | 2-ethylphenylhydrazine hydrochloride,2-ethylphenyl hydrazine hydrochloride,2-ethylphenyl hydrazine hcl,2-ethylphenylhydrazine, hcl,1-2-ethylphenyl hydrazine hydrochloride,2-ethyl phenyl hydrazine hydrochloride,2-ethylphenylhydrazinehydrochloride,hydrazine, 2-ethylphenyl-, monohydrochloride,2-ethylphenylhydrazine, chloride |
| InChI Key | JHPOWXCLWLEKBY-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2 |
3-Bromobenzaldehyde, 97%
CAS: 3132-99-8 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003345 InChI Key: SUISZCALMBHJQX-UHFFFAOYSA-N Synonym: m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde PubChem CID: 76583 IUPAC Name: 3-bromobenzaldehyde SMILES: C1=CC(=CC(=C1)Br)C=O
| PubChem CID | 76583 |
|---|---|
| CAS | 3132-99-8 |
| Molecular Weight (g/mol) | 185.02 |
| MDL Number | MFCD00003345 |
| SMILES | C1=CC(=CC(=C1)Br)C=O |
| Synonym | m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde |
| IUPAC Name | 3-bromobenzaldehyde |
| InChI Key | SUISZCALMBHJQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO |
5-tert-Butyl-2-methoxybenzeneboronic acid, 98+%, Thermo Scientific Chemicals
CAS: 128733-85-7 Molecular Formula: C11H17BO3 Molecular Weight (g/mol): 208.064 MDL Number: MFCD06201034 InChI Key: LXFOJKCQSAYVMF-UHFFFAOYSA-N Synonym: 5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl PubChem CID: 14740579 IUPAC Name: (5-tert-butyl-2-methoxyphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O
| PubChem CID | 14740579 |
|---|---|
| CAS | 128733-85-7 |
| Molecular Weight (g/mol) | 208.064 |
| MDL Number | MFCD06201034 |
| SMILES | B(C1=C(C=CC(=C1)C(C)(C)C)OC)(O)O |
| Synonym | 5-tert-butyl-2-methoxyphenyl boronic acid,5-t-butyl-2-methoxyphenylboronic acid,5-tert-butyl-2-methoxybenzeneboronic acid,2-borono-4-tert-butyl anisole,acmc-1c4zr,2-methoxy-5-tert-butylphenylboronic acid,5-tert-butyl-2-methoxyphenyl boronicacid,boronic acid, b-5-1,1-dimethylethyl-2-methoxyphenyl |
| IUPAC Name | (5-tert-butyl-2-methoxyphenyl)boronic acid |
| InChI Key | LXFOJKCQSAYVMF-UHFFFAOYSA-N |
| Molecular Formula | C11H17BO3 |
2-Amino-3-bromo-5-methylbenzoic acid, 98+%
CAS: 13091-43-5 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD00051705 InChI Key: LCMZECCEEOQWLQ-UHFFFAOYSA-N PubChem CID: 2774400 IUPAC Name: 2-amino-3-bromo-5-methylbenzoic acid SMILES: CC1=CC(Br)=C(N)C(=C1)C(O)=O
| PubChem CID | 2774400 |
|---|---|
| CAS | 13091-43-5 |
| Molecular Weight (g/mol) | 230.06 |
| MDL Number | MFCD00051705 |
| SMILES | CC1=CC(Br)=C(N)C(=C1)C(O)=O |
| IUPAC Name | 2-amino-3-bromo-5-methylbenzoic acid |
| InChI Key | LCMZECCEEOQWLQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO2 |