Benzene and substituted derivatives
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4-Hydroxy-3-methoxybenzylamine hydrochloride, 98%
CAS: 10-2-7149 Molecular Formula: C8H11NO2·HCl Molecular Weight (g/mol): 189.64 MDL Number: MFCD00012864 InChI Key: LOYPVODLNGWOLM-UHFFFAOYSA-N Synonym: 4-hydroxy-3-methoxybenzylamine hydrochloride,4-aminomethyl-2-methoxyphenol hydrochloride,vanillylamine hydrochloride,n-vanillylamine hydrochloride,2-vanillylamine hydrochloride,4-hydroxy-3-methoxybenzylamine hcl,phenol, 4-aminomethyl-2-methoxy-, hydrochloride,4-aminomethyl-2-methoxyphenol, chloride,vanillylamine hcl PubChem CID: 165576 IUPAC Name: 4-(aminomethyl)-2-methoxyphenol;hydrochloride SMILES: COC1=C(C=CC(=C1)CN)O.Cl
| PubChem CID | 165576 |
|---|---|
| CAS | 10-2-7149 |
| Molecular Weight (g/mol) | 189.64 |
| MDL Number | MFCD00012864 |
| SMILES | COC1=C(C=CC(=C1)CN)O.Cl |
| Synonym | 4-hydroxy-3-methoxybenzylamine hydrochloride,4-aminomethyl-2-methoxyphenol hydrochloride,vanillylamine hydrochloride,n-vanillylamine hydrochloride,2-vanillylamine hydrochloride,4-hydroxy-3-methoxybenzylamine hcl,phenol, 4-aminomethyl-2-methoxy-, hydrochloride,4-aminomethyl-2-methoxyphenol, chloride,vanillylamine hcl |
| IUPAC Name | 4-(aminomethyl)-2-methoxyphenol;hydrochloride |
| InChI Key | LOYPVODLNGWOLM-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2·HCl |
3-Chlorobenzoic acid, 99+%
CAS: 535-80-8 MDL Number: MFCD00002491 InChI Key: LULAYUGMBFYYEX-UHFFFAOYSA-N Synonym: m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992 PubChem CID: 447 ChEBI: CHEBI:49410 IUPAC Name: 3-chlorobenzoic acid SMILES: C1=CC(=CC(=C1)Cl)C(=O)O
| PubChem CID | 447 |
|---|---|
| CAS | 535-80-8 |
| ChEBI | CHEBI:49410 |
| MDL Number | MFCD00002491 |
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)O |
| Synonym | m-chlorobenzoic acid,benzoic acid, 3-chloro,benzoic acid, m-chloro,3-chlorobenzoicacid,3-chloro-benzoic acid,m-chlorobenzoate,acido m-clorobenzoico,unii-02uoj7064k,mcba,ccris 5992 |
| IUPAC Name | 3-chlorobenzoic acid |
| InChI Key | LULAYUGMBFYYEX-UHFFFAOYSA-N |
3-Methoxyphenyl isocyanate, 99%
CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O
| PubChem CID | 87843 |
|---|---|
| CAS | 18908-07-1 |
| Molecular Weight (g/mol) | 149.149 |
| MDL Number | MFCD00002019 |
| SMILES | COC1=CC=CC(=C1)N=C=O |
| Synonym | 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate |
| IUPAC Name | 1-isocyanato-3-methoxybenzene |
| InChI Key | NPOVTGVGOBJZPY-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO2 |
3,5-Difluoro-4-methoxyaniline, 97%
CAS: 363-47-3 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.14 MDL Number: MFCD04115910 InChI Key: POVSDXPEJZMSEJ-UHFFFAOYSA-N Synonym: 4-amino-2,6-fluoroanisole,benzenamine, 3,5-difluoro-4-methoxy-9ci,3,5-difluoro-4-methoxy-aniline,benzenamine,3,5-difluoro-4-methoxy,pubchem10104,3,5-difluoro-4-methxoyaniline,3,5-difluoro-4-methoxybenzenamine,3,5-difluoro-4-methoxyphenylamine,3,5-difluoro-4-methoxybenzeneamine,3,5-difluoro-4-methoxy-benzenamine PubChem CID: 2783137 IUPAC Name: 3,5-difluoro-4-methoxyaniline SMILES: COC1=C(F)C=C(N)C=C1F
| PubChem CID | 2783137 |
|---|---|
| CAS | 363-47-3 |
| Molecular Weight (g/mol) | 159.14 |
| MDL Number | MFCD04115910 |
| SMILES | COC1=C(F)C=C(N)C=C1F |
| Synonym | 4-amino-2,6-fluoroanisole,benzenamine, 3,5-difluoro-4-methoxy-9ci,3,5-difluoro-4-methoxy-aniline,benzenamine,3,5-difluoro-4-methoxy,pubchem10104,3,5-difluoro-4-methxoyaniline,3,5-difluoro-4-methoxybenzenamine,3,5-difluoro-4-methoxyphenylamine,3,5-difluoro-4-methoxybenzeneamine,3,5-difluoro-4-methoxy-benzenamine |
| IUPAC Name | 3,5-difluoro-4-methoxyaniline |
| InChI Key | POVSDXPEJZMSEJ-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2NO |
2-Naphthoxyacetic acid, 97%
CAS: 120-23-0 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.209 MDL Number: MFCD00004066 InChI Key: RZCJYMOBWVJQGV-UHFFFAOYSA-N Synonym: 2-naphthoxyacetic acid,2-naphthyloxy acetic acid,bnoa,2-naphthyloxyacetic acid,2-naphthalen-2-yloxy acetic acid,noxa,betoxon,2-noxa,naphthoxyacetic acid,betapal PubChem CID: 8422 ChEBI: CHEBI:50397 IUPAC Name: 2-naphthalen-2-yloxyacetic acid SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)O
| PubChem CID | 8422 |
|---|---|
| CAS | 120-23-0 |
| Molecular Weight (g/mol) | 202.209 |
| ChEBI | CHEBI:50397 |
| MDL Number | MFCD00004066 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)OCC(=O)O |
| Synonym | 2-naphthoxyacetic acid,2-naphthyloxy acetic acid,bnoa,2-naphthyloxyacetic acid,2-naphthalen-2-yloxy acetic acid,noxa,betoxon,2-noxa,naphthoxyacetic acid,betapal |
| IUPAC Name | 2-naphthalen-2-yloxyacetic acid |
| InChI Key | RZCJYMOBWVJQGV-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
Tribenzylamine, 99+%
CAS: 620-40-6 Molecular Formula: C21H21N Molecular Weight (g/mol): 287.41 MDL Number: MFCD00004773 InChI Key: MXHTZQSKTCCMFG-UHFFFAOYSA-N Synonym: tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 PubChem CID: 24321 IUPAC Name: N,N-dibenzyl-1-phenylmethanamine SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 24321 |
|---|---|
| CAS | 620-40-6 |
| Molecular Weight (g/mol) | 287.41 |
| MDL Number | MFCD00004773 |
| SMILES | C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 |
| IUPAC Name | N,N-dibenzyl-1-phenylmethanamine |
| InChI Key | MXHTZQSKTCCMFG-UHFFFAOYSA-N |
| Molecular Formula | C21H21N |
(Methoxymethyl)diphenylphosphine oxide, 98+%
CAS: 4455-77-0 Molecular Formula: C14H15O2P Molecular Weight (g/mol): 246.25 MDL Number: MFCD00015451 InChI Key: OEPKDBQOTLDTNC-UHFFFAOYSA-N Synonym: methoxymethyl diphenylphosphine oxide,methoxymethyldiphenylphosphine oxide,diphenyl methoxymethyl phosphine oxide,phosphine oxide, methoxymethyl diphenyl,methoxymethyl diphenyl phosphine oxide,phosphine oxide, diphenyl methoxymethyl,methoxymethyl phenyl phosphoroso benzene,acmc-1ahy3,cbmicro_008972 PubChem CID: 78203 IUPAC Name: [methoxymethyl(phenyl)phosphoryl]benzene SMILES: COCP(=O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 78203 |
|---|---|
| CAS | 4455-77-0 |
| Molecular Weight (g/mol) | 246.25 |
| MDL Number | MFCD00015451 |
| SMILES | COCP(=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methoxymethyl diphenylphosphine oxide,methoxymethyldiphenylphosphine oxide,diphenyl methoxymethyl phosphine oxide,phosphine oxide, methoxymethyl diphenyl,methoxymethyl diphenyl phosphine oxide,phosphine oxide, diphenyl methoxymethyl,methoxymethyl phenyl phosphoroso benzene,acmc-1ahy3,cbmicro_008972 |
| IUPAC Name | [methoxymethyl(phenyl)phosphoryl]benzene |
| InChI Key | OEPKDBQOTLDTNC-UHFFFAOYSA-N |
| Molecular Formula | C14H15O2P |
Methyl 3,5-difluorobenzoate, 98%
CAS: 216393-55-4 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.13 MDL Number: MFCD01318160 InChI Key: JBEJPGWPXIIQBB-UHFFFAOYSA-N PubChem CID: 2775360 IUPAC Name: methyl 3,5-difluorobenzoate SMILES: COC(=O)C1=CC(F)=CC(F)=C1
| PubChem CID | 2775360 |
|---|---|
| CAS | 216393-55-4 |
| Molecular Weight (g/mol) | 172.13 |
| MDL Number | MFCD01318160 |
| SMILES | COC(=O)C1=CC(F)=CC(F)=C1 |
| IUPAC Name | methyl 3,5-difluorobenzoate |
| InChI Key | JBEJPGWPXIIQBB-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
1,2-Dibromo-4,5-difluorobenzene, 98%
CAS: 64695-78-9 Molecular Formula: C6H2Br2F2 Molecular Weight (g/mol): 271.887 MDL Number: MFCD00009890 InChI Key: JTEZQWOKRHOKDG-UHFFFAOYSA-N Synonym: benzene, 1,2-dibromo-4,5-difluoro,1,2-dibromo-4,5-difluoro-benzene,1,2-difluoro-4,5-dibromobenzene,zlchem 536,pubchem3440,acmc-1biw8,1,2-dibromo-4,5-difluorobenzene,benzene, 1,2-dibromo-4,5-difluoro-;1,2-dibromo-4,5-difl PubChem CID: 94949 IUPAC Name: 1,2-dibromo-4,5-difluorobenzene SMILES: C1=C(C(=CC(=C1Br)Br)F)F
| PubChem CID | 94949 |
|---|---|
| CAS | 64695-78-9 |
| Molecular Weight (g/mol) | 271.887 |
| MDL Number | MFCD00009890 |
| SMILES | C1=C(C(=CC(=C1Br)Br)F)F |
| Synonym | benzene, 1,2-dibromo-4,5-difluoro,1,2-dibromo-4,5-difluoro-benzene,1,2-difluoro-4,5-dibromobenzene,zlchem 536,pubchem3440,acmc-1biw8,1,2-dibromo-4,5-difluorobenzene,benzene, 1,2-dibromo-4,5-difluoro-;1,2-dibromo-4,5-difl |
| IUPAC Name | 1,2-dibromo-4,5-difluorobenzene |
| InChI Key | JTEZQWOKRHOKDG-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2F2 |
4-Methylbenzophenone, 98%
CAS: 134-84-9 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008553 InChI Key: WXPWZZHELZEVPO-UHFFFAOYSA-N Synonym: 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl PubChem CID: 8652 IUPAC Name: (4-methylphenyl)-phenylmethanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 8652 |
|---|---|
| CAS | 134-84-9 |
| Molecular Weight (g/mol) | 196.249 |
| MDL Number | MFCD00008553 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl |
| IUPAC Name | (4-methylphenyl)-phenylmethanone |
| InChI Key | WXPWZZHELZEVPO-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
4-Chlorophenylsulfonylacetone, 98+%, Thermo Scientific™
CAS: 5000-48-6 Molecular Formula: C9H9ClO3S Molecular Weight (g/mol): 232.68 MDL Number: MFCD00018663 InChI Key: BRDBHPZILGTBFY-UHFFFAOYSA-N Synonym: 4-chlorophenylsulfonylacetone,1-4-chlorophenyl sulfonyl acetone,1-4-chlorophenyl sulfonyl propan-2-one,4-chlorobenzenesulphonylacetone,p-chlorophenylsulfonylacetone,1-4-chlorobenzenesulfonyl propan-2-one,4-chlorophenylsulfonyl acetone,1-4-chlorophenyl sulfonylpropan-2-one,maybridge1_004685 PubChem CID: 521269 IUPAC Name: 1-(4-chlorophenyl)sulfonylpropan-2-one SMILES: CC(=O)CS(=O)(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 521269 |
|---|---|
| CAS | 5000-48-6 |
| Molecular Weight (g/mol) | 232.68 |
| MDL Number | MFCD00018663 |
| SMILES | CC(=O)CS(=O)(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4-chlorophenylsulfonylacetone,1-4-chlorophenyl sulfonyl acetone,1-4-chlorophenyl sulfonyl propan-2-one,4-chlorobenzenesulphonylacetone,p-chlorophenylsulfonylacetone,1-4-chlorobenzenesulfonyl propan-2-one,4-chlorophenylsulfonyl acetone,1-4-chlorophenyl sulfonylpropan-2-one,maybridge1_004685 |
| IUPAC Name | 1-(4-chlorophenyl)sulfonylpropan-2-one |
| InChI Key | BRDBHPZILGTBFY-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO3S |
2,4,6-Trimethylphenylhydrazine hydrochloride, 97%
CAS: 76195-82-9 Molecular Formula: C9H15ClN2 Molecular Weight (g/mol): 186.68 MDL Number: MFCD00052268 InChI Key: XFGPCULNJGZRTH-UHFFFAOYSA-N Synonym: mesitylhydrazine hydrochloride,2,4,6-trimethylphenylhydrazine hydrochloride,1-mesitylhydrazine hydrochloride,2,4,6-trimethylphenyl hydrazine hydrochloride,hydrazine, 2,4,6-trimethylphenyl-, hydrochloride,mesityl hydrazine hydrochloride PubChem CID: 2774883 IUPAC Name: (2,4,6-trimethylphenyl)hydrazine;hydrochloride SMILES: Cl.CC1=CC(C)=C(NN)C(C)=C1
| PubChem CID | 2774883 |
|---|---|
| CAS | 76195-82-9 |
| Molecular Weight (g/mol) | 186.68 |
| MDL Number | MFCD00052268 |
| SMILES | Cl.CC1=CC(C)=C(NN)C(C)=C1 |
| Synonym | mesitylhydrazine hydrochloride,2,4,6-trimethylphenylhydrazine hydrochloride,1-mesitylhydrazine hydrochloride,2,4,6-trimethylphenyl hydrazine hydrochloride,hydrazine, 2,4,6-trimethylphenyl-, hydrochloride,mesityl hydrazine hydrochloride |
| IUPAC Name | (2,4,6-trimethylphenyl)hydrazine;hydrochloride |
| InChI Key | XFGPCULNJGZRTH-UHFFFAOYSA-N |
| Molecular Formula | C9H15ClN2 |
4-Fluorotoluene, 99%
CAS: 352-32-9 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000358 InChI Key: WRWPPGUCZBJXKX-UHFFFAOYSA-N Synonym: 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene PubChem CID: 9603 IUPAC Name: 1-fluoro-4-methylbenzene SMILES: CC1=CC=C(C=C1)F
| PubChem CID | 9603 |
|---|---|
| CAS | 352-32-9 |
| Molecular Weight (g/mol) | 110.131 |
| MDL Number | MFCD00000358 |
| SMILES | CC1=CC=C(C=C1)F |
| Synonym | 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene |
| IUPAC Name | 1-fluoro-4-methylbenzene |
| InChI Key | WRWPPGUCZBJXKX-UHFFFAOYSA-N |
| Molecular Formula | C7H7F |
5-Bromo-2-fluoroaniline, 98%
CAS: 2924-09-6 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.02 MDL Number: MFCD03094181 InChI Key: ADWKOCXRCRSMLQ-UHFFFAOYSA-N
| CAS | 2924-09-6 |
|---|---|
| Molecular Weight (g/mol) | 190.02 |
| MDL Number | MFCD03094181 |
| InChI Key | ADWKOCXRCRSMLQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
Methyl 4-amino-3-bromo-5-nitrobenzoate, 97%, Thermo Scientific Chemicals
CAS: 105655-17-2 Molecular Formula: C8H7BrN2O4 Molecular Weight (g/mol): 275.058 MDL Number: MFCD08443938 InChI Key: PRTLMEWWYBJZPN-UHFFFAOYSA-N Synonym: methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester PubChem CID: 13685347 IUPAC Name: methyl 4-amino-3-bromo-5-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-]
| PubChem CID | 13685347 |
|---|---|
| CAS | 105655-17-2 |
| Molecular Weight (g/mol) | 275.058 |
| MDL Number | MFCD08443938 |
| SMILES | COC(=O)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-] |
| Synonym | methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester,acmc-20aq1i,methylaminobromonitrobenzenecarboxylate,3-nitro-4-amino-5-bromobenzoic acid methyl ester,benzoicacid,4-amino-3-bromo-5-nitro-,methylester,4-amino-3-bromo-5-nitro-benzoic acid methyl ester |
| IUPAC Name | methyl 4-amino-3-bromo-5-nitrobenzoate |
| InChI Key | PRTLMEWWYBJZPN-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrN2O4 |