Benzene and substituted derivatives
Filtered Search Results
1-Chloro-2-fluorobenzene, 98+%
CAS: 348-51-6 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000533 InChI Key: ZCJAYDKWZAWMPR-UHFFFAOYSA-N Synonym: 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene PubChem CID: 9583 IUPAC Name: 1-chloro-2-fluorobenzene SMILES: FC1=CC=CC=C1Cl
| PubChem CID | 9583 |
|---|---|
| CAS | 348-51-6 |
| Molecular Weight (g/mol) | 130.55 |
| MDL Number | MFCD00000533 |
| SMILES | FC1=CC=CC=C1Cl |
| Synonym | 2-chlorofluorobenzene,o-chlorofluorobenzene,benzene, 1-chloro-2-fluoro,o-fluorochlorobenzene,1-fluoro-2-chlorobenzene,1-chloro-2-fluoro-benzene,benzene, chlorofluoro,2-chloro-1-fluorobenzene,chlorofluorobenzene,2-fluorochlorobenzene |
| IUPAC Name | 1-chloro-2-fluorobenzene |
| InChI Key | ZCJAYDKWZAWMPR-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClF |
2,4-Difluoro-5-nitrobenzoic acid, 97%
CAS: 153775-33-8 Molecular Formula: C7H2F2NO4 Molecular Weight (g/mol): 202.09 MDL Number: MFCD04115713 InChI Key: MDFSGDMPHMKKGB-UHFFFAOYSA-M PubChem CID: 2782822 IUPAC Name: 2,4-difluoro-5-nitrobenzoate SMILES: [O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O
| PubChem CID | 2782822 |
|---|---|
| CAS | 153775-33-8 |
| Molecular Weight (g/mol) | 202.09 |
| MDL Number | MFCD04115713 |
| SMILES | [O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O |
| IUPAC Name | 2,4-difluoro-5-nitrobenzoate |
| InChI Key | MDFSGDMPHMKKGB-UHFFFAOYSA-M |
| Molecular Formula | C7H2F2NO4 |
2-Bromo-5-chlorobenzaldehyde, 97%
CAS: 174265-12-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00462870 InChI Key: IIISHLMCTDMUHH-UHFFFAOYSA-N Synonym: 5-chloro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-5-chloro,pubchem19849,acmc-1bwmm,ksc174i5n,2-bromo-5-chlorobenzaldehycle,iiishlmctdmuhh-uhfffaoysa PubChem CID: 15391279 IUPAC Name: 2-bromo-5-chlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)C=O)Br
| PubChem CID | 15391279 |
|---|---|
| CAS | 174265-12-4 |
| Molecular Weight (g/mol) | 219.462 |
| MDL Number | MFCD00462870 |
| SMILES | C1=CC(=C(C=C1Cl)C=O)Br |
| Synonym | 5-chloro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-5-chloro,pubchem19849,acmc-1bwmm,ksc174i5n,2-bromo-5-chlorobenzaldehycle,iiishlmctdmuhh-uhfffaoysa |
| IUPAC Name | 2-bromo-5-chlorobenzaldehyde |
| InChI Key | IIISHLMCTDMUHH-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
3-(1-Methyl-1H-pyrazol-5-yl)benzoic acid, 97%, Thermo Scientific™
CAS: 628297-55-2 Molecular Formula: C11H10N2O2 Molecular Weight (g/mol): 202.213 MDL Number: MFCD09702398 InChI Key: OBOMYSVFLSMYLV-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-5-yl benzoic acid,3-2-methylpyrazol-3-yl benzoic acid,3-1-methylpyrazol-5-yl benzoic acid,benzoicacid,3-1-methyl-1h-pyrazol-5-yl,benzoicacid, 3-1-methyl-1h-pyrazol-5-yl,benzoic acid, 3-1-methyl-1h-pyrazol-5-yl PubChem CID: 18548847 IUPAC Name: 3-(2-methylpyrazol-3-yl)benzoic acid SMILES: CN1C(=CC=N1)C2=CC(=CC=C2)C(=O)O
| PubChem CID | 18548847 |
|---|---|
| CAS | 628297-55-2 |
| Molecular Weight (g/mol) | 202.213 |
| MDL Number | MFCD09702398 |
| SMILES | CN1C(=CC=N1)C2=CC(=CC=C2)C(=O)O |
| Synonym | 3-1-methyl-1h-pyrazol-5-yl benzoic acid,3-2-methylpyrazol-3-yl benzoic acid,3-1-methylpyrazol-5-yl benzoic acid,benzoicacid,3-1-methyl-1h-pyrazol-5-yl,benzoicacid, 3-1-methyl-1h-pyrazol-5-yl,benzoic acid, 3-1-methyl-1h-pyrazol-5-yl |
| IUPAC Name | 3-(2-methylpyrazol-3-yl)benzoic acid |
| InChI Key | OBOMYSVFLSMYLV-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O2 |
N-Benzylethanolamine, 96%
CAS: 104-63-2 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00002840 InChI Key: XNIOWJUQPMKCIJ-UHFFFAOYSA-N Synonym: n-benzylethanolamine,2-benzylamino ethanol,benzylaminoethanol,benzylethanolamine,ethanol, 2-phenylmethyl amino,2-benzylamino ethan-1-ol,benzyl ethanolamine,n-benzyle ethanol amine,ethanol, 2-benzylamino,unii-48121ms9jm PubChem CID: 4348 IUPAC Name: 2-(benzylamino)ethanol SMILES: OCCNCC1=CC=CC=C1
| PubChem CID | 4348 |
|---|---|
| CAS | 104-63-2 |
| Molecular Weight (g/mol) | 151.21 |
| MDL Number | MFCD00002840 |
| SMILES | OCCNCC1=CC=CC=C1 |
| Synonym | n-benzylethanolamine,2-benzylamino ethanol,benzylaminoethanol,benzylethanolamine,ethanol, 2-phenylmethyl amino,2-benzylamino ethan-1-ol,benzyl ethanolamine,n-benzyle ethanol amine,ethanol, 2-benzylamino,unii-48121ms9jm |
| IUPAC Name | 2-(benzylamino)ethanol |
| InChI Key | XNIOWJUQPMKCIJ-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
Triphenyl borate, 97%
CAS: 1095-03-0 Molecular Formula: C18H15BO3 Molecular Weight (g/mol): 290.125 MDL Number: MFCD00059011 InChI Key: MDCWDBMBZLORER-UHFFFAOYSA-N Synonym: triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester PubChem CID: 14182 IUPAC Name: triphenyl borate SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
| PubChem CID | 14182 |
|---|---|
| CAS | 1095-03-0 |
| Molecular Weight (g/mol) | 290.125 |
| MDL Number | MFCD00059011 |
| SMILES | B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3 |
| Synonym | triphenoxyborane,phenyl borate,triphenoxyboron,boric acid, triphenyl ester,phenyl borate, pho 3 b,trifenylester kyseliny borite,boric acid h3bo3 , triphenyl ester,triphenyl ester boric acid,trifenylester kyseliny borite czech,boric acid triphenyl ester |
| IUPAC Name | triphenyl borate |
| InChI Key | MDCWDBMBZLORER-UHFFFAOYSA-N |
| Molecular Formula | C18H15BO3 |
4-Bromobenzotrifluoride, 99%
CAS: 402-43-7 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00000398 InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N Synonym: 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene PubChem CID: 67872 IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Br
| PubChem CID | 67872 |
|---|---|
| CAS | 402-43-7 |
| Molecular Weight (g/mol) | 225.008 |
| MDL Number | MFCD00000398 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)Br |
| Synonym | 4-bromobenzotrifluoride,1-bromo-4-trifluoromethyl benzene,benzene, 1-bromo-4-trifluoromethyl,p-bromobenzotrifluoride,4-bromotrifluorotoluene,4-bromo-alpha,alpha,alpha-trifluorotoluene,p-bromotrifluoromethylbenzene,4-trifluoromethyl bromobenzene,4-bromo-a,a,a-trifluorotoluene,4-trifluoromethylbromobenzene |
| IUPAC Name | 1-bromo-4-(trifluoromethyl)benzene |
| InChI Key | XLQSXGGDTHANLN-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3 |
2-Bromo-3-(trifluoromethyl)aniline, 98%, Thermo Scientific Chemicals
CAS: 58458-10-9 Molecular Formula: C7H5BrF3N Molecular Weight (g/mol): 240.023 MDL Number: MFCD01656033 InChI Key: XIUJCAJFRWDEKE-UHFFFAOYSA-N Synonym: 2-bromo-3-trifluoromethyl aniline,3-amino-2-bromobenzotrifluoride,2-bromo-3-trifluoromethyl benzenamine,2-bromo-3-trifluoromethyl phenylamine,benzenamine, 2-bromo-3-trifluoromethyl,pubchem4829,ksc275a9t,2-bromo-3-trifluoromethyl-aniline,3-amino-2-bromobenzotrifluoride 2-bromo-3-trifluoromethyl aniline PubChem CID: 94058 IUPAC Name: 2-bromo-3-(trifluoromethyl)aniline SMILES: C1=CC(=C(C(=C1)N)Br)C(F)(F)F
| PubChem CID | 94058 |
|---|---|
| CAS | 58458-10-9 |
| Molecular Weight (g/mol) | 240.023 |
| MDL Number | MFCD01656033 |
| SMILES | C1=CC(=C(C(=C1)N)Br)C(F)(F)F |
| Synonym | 2-bromo-3-trifluoromethyl aniline,3-amino-2-bromobenzotrifluoride,2-bromo-3-trifluoromethyl benzenamine,2-bromo-3-trifluoromethyl phenylamine,benzenamine, 2-bromo-3-trifluoromethyl,pubchem4829,ksc275a9t,2-bromo-3-trifluoromethyl-aniline,3-amino-2-bromobenzotrifluoride 2-bromo-3-trifluoromethyl aniline |
| IUPAC Name | 2-bromo-3-(trifluoromethyl)aniline |
| InChI Key | XIUJCAJFRWDEKE-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF3N |
4-Benzyloxy-2-fluorobenzoic acid, 98%
CAS: 114045-96-4 Molecular Formula: C14H11FO3 Molecular Weight (g/mol): 246.24 MDL Number: MFCD12407082 InChI Key: HWQRXVRKZFDKLJ-UHFFFAOYSA-N Synonym: 4-benzyloxy-2-fluorobenzoic acid,benzoic acid, 2-fluoro-4-phenylmethoxy,acmc-20mjm1,2-fluoro-4-benzyloxybenzoic acid,4-benzyloxy-2-fluorobenzoicacid,4-benzyloxy-2-fluoro-benzoic acid PubChem CID: 22314502 IUPAC Name: 2-fluoro-4-phenylmethoxybenzoic acid SMILES: OC(=O)C1=C(F)C=C(OCC2=CC=CC=C2)C=C1
| PubChem CID | 22314502 |
|---|---|
| CAS | 114045-96-4 |
| Molecular Weight (g/mol) | 246.24 |
| MDL Number | MFCD12407082 |
| SMILES | OC(=O)C1=C(F)C=C(OCC2=CC=CC=C2)C=C1 |
| Synonym | 4-benzyloxy-2-fluorobenzoic acid,benzoic acid, 2-fluoro-4-phenylmethoxy,acmc-20mjm1,2-fluoro-4-benzyloxybenzoic acid,4-benzyloxy-2-fluorobenzoicacid,4-benzyloxy-2-fluoro-benzoic acid |
| IUPAC Name | 2-fluoro-4-phenylmethoxybenzoic acid |
| InChI Key | HWQRXVRKZFDKLJ-UHFFFAOYSA-N |
| Molecular Formula | C14H11FO3 |
4-Ethyl-2-methoxyphenol, 98%
CAS: 2785-89-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00038714 InChI Key: CHWNEIVBYREQRF-UHFFFAOYSA-N Synonym: 4-ethylguaiacol,p-ethylguaiacol,2-methoxy-4-ethylphenol,phenol, 4-ethyl-2-methoxy,homocresol,guaiacyl ethane,4-ethyl-2-methoxy-phenol,4-hydroxy-3-methoxy ethylbenzene,unii-c9nfd83bj5,guaiacol, 4-ethyl PubChem CID: 62465 IUPAC Name: 4-ethyl-2-methoxyphenol SMILES: CCC1=CC=C(O)C(OC)=C1
| PubChem CID | 62465 |
|---|---|
| CAS | 2785-89-9 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00038714 |
| SMILES | CCC1=CC=C(O)C(OC)=C1 |
| Synonym | 4-ethylguaiacol,p-ethylguaiacol,2-methoxy-4-ethylphenol,phenol, 4-ethyl-2-methoxy,homocresol,guaiacyl ethane,4-ethyl-2-methoxy-phenol,4-hydroxy-3-methoxy ethylbenzene,unii-c9nfd83bj5,guaiacol, 4-ethyl |
| IUPAC Name | 4-ethyl-2-methoxyphenol |
| InChI Key | CHWNEIVBYREQRF-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
2-(Trifluoromethyl)phenylacetylene, 97%
CAS: 704-41-6 Molecular Formula: C9H5F3 Molecular Weight (g/mol): 170.134 MDL Number: MFCD00467313 InChI Key: OOZKONVIIMFOKW-UHFFFAOYSA-N Synonym: 1-ethynyl-2-trifluoromethyl benzene,2'-trifluoromethylphenyl acetylene,2-trifluoromethyl phenylacetylene,2-ethynyl-alpha,alpha,alpha-trifluorotoluene,2-ethynyl-a,a,a-trifluorotoluene,1-ethynyl-2-trifluoromethylbenzene,2'-trifluoromethylphenylacetylene,2-ethynylbenzotrifluoride,o-ethynyl-trifluoromethylbenzene,2-trifluoromethyl phenyl ethyne,1-ethynyl-2-trifluoromethyl-benzene PubChem CID: 4100856 IUPAC Name: 1-ethynyl-2-(trifluoromethyl)benzene SMILES: C#CC1=CC=CC=C1C(F)(F)F
| PubChem CID | 4100856 |
|---|---|
| CAS | 704-41-6 |
| Molecular Weight (g/mol) | 170.134 |
| MDL Number | MFCD00467313 |
| SMILES | C#CC1=CC=CC=C1C(F)(F)F |
| Synonym | 1-ethynyl-2-trifluoromethyl benzene,2'-trifluoromethylphenyl acetylene,2-trifluoromethyl phenylacetylene,2-ethynyl-alpha,alpha,alpha-trifluorotoluene,2-ethynyl-a,a,a-trifluorotoluene,1-ethynyl-2-trifluoromethylbenzene,2'-trifluoromethylphenylacetylene,2-ethynylbenzotrifluoride,o-ethynyl-trifluoromethylbenzene,2-trifluoromethyl phenyl ethyne,1-ethynyl-2-trifluoromethyl-benzene |
| IUPAC Name | 1-ethynyl-2-(trifluoromethyl)benzene |
| InChI Key | OOZKONVIIMFOKW-UHFFFAOYSA-N |
| Molecular Formula | C9H5F3 |
4-Fluoro-3-nitrobenzenesulfonamide, 97%
CAS: 406233-31-6 Molecular Formula: C6H5FN2O4S Molecular Weight (g/mol): 220.174 MDL Number: MFCD08703185 InChI Key: FAYVDRRKPVJSPE-UHFFFAOYSA-N PubChem CID: 16782487 IUPAC Name: 4-fluoro-3-nitrobenzenesulfonamide SMILES: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])F
| PubChem CID | 16782487 |
|---|---|
| CAS | 406233-31-6 |
| Molecular Weight (g/mol) | 220.174 |
| MDL Number | MFCD08703185 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])F |
| IUPAC Name | 4-fluoro-3-nitrobenzenesulfonamide |
| InChI Key | FAYVDRRKPVJSPE-UHFFFAOYSA-N |
| Molecular Formula | C6H5FN2O4S |
N-Isopropyl-4-methylbenzenesulfonamide, 97%
CAS: 21230-07-9 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.295 MDL Number: MFCD00543042 InChI Key: NXUHAAIJVABUMJ-UHFFFAOYSA-N Synonym: n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine PubChem CID: 4329528 IUPAC Name: 4-methyl-N-propan-2-ylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C)C
| PubChem CID | 4329528 |
|---|---|
| CAS | 21230-07-9 |
| Molecular Weight (g/mol) | 213.295 |
| MDL Number | MFCD00543042 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C)C |
| Synonym | n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine |
| IUPAC Name | 4-methyl-N-propan-2-ylbenzenesulfonamide |
| InChI Key | NXUHAAIJVABUMJ-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2S |
Methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 59604-96-5 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD09258894 InChI Key: FGZPUQMMDVJQQN-UHFFFAOYSA-N Synonym: 6-hydroxytetralin-5-carboxylic acid methyl ester,methyl 2-hydroxy-5,6,7,8-tetrahydro-1-naphthoate,2-hydroxy-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester,2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid methyl ester PubChem CID: 11600901 IUPAC Name: methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate SMILES: COC(=O)C1=C(O)C=CC2=C1CCCC2
| PubChem CID | 11600901 |
|---|---|
| CAS | 59604-96-5 |
| Molecular Weight (g/mol) | 206.24 |
| MDL Number | MFCD09258894 |
| SMILES | COC(=O)C1=C(O)C=CC2=C1CCCC2 |
| Synonym | 6-hydroxytetralin-5-carboxylic acid methyl ester,methyl 2-hydroxy-5,6,7,8-tetrahydro-1-naphthoate,2-hydroxy-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester,2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid methyl ester |
| IUPAC Name | methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate |
| InChI Key | FGZPUQMMDVJQQN-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
2-Amino-6-bromobenzoic acid, 97+%
CAS: 20776-48-1 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD03618455 InChI Key: BNQPROAXWQCNKO-UHFFFAOYSA-N Synonym: 6-bromoanthranilic acid,3-bromo-2-carboxyaniline,benzoic acid, 2-amino-6-bromo,buttpark 49\07-50,2-amino-6-bromo-benzoic acid,ksc201s8r PubChem CID: 10560649 IUPAC Name: 2-amino-6-bromobenzoic acid SMILES: NC1=C(C(O)=O)C(Br)=CC=C1
| PubChem CID | 10560649 |
|---|---|
| CAS | 20776-48-1 |
| Molecular Weight (g/mol) | 216.03 |
| MDL Number | MFCD03618455 |
| SMILES | NC1=C(C(O)=O)C(Br)=CC=C1 |
| Synonym | 6-bromoanthranilic acid,3-bromo-2-carboxyaniline,benzoic acid, 2-amino-6-bromo,buttpark 49\07-50,2-amino-6-bromo-benzoic acid,ksc201s8r |
| IUPAC Name | 2-amino-6-bromobenzoic acid |
| InChI Key | BNQPROAXWQCNKO-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |