Benzene and substituted derivatives
Filtered Search Results
| PubChem CID | 2734320 |
|---|---|
| CAS | 123324-71-0 |
| MDL Number | MFCD01009697 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (4-tert-butylphenyl)boronic acid |
| InChI Key | MNJYZNVROSZZQC-UHFFFAOYSA-N |
| Molecular Formula | C10H15BO2 |
| Formula Weight | 178.04 |
| Melting Point | 184°C |
trans-4-Nitrostilbene 98.0+%, TCI America™
CAS: 1694-20-8 Molecular Formula: C14H11NO2 Molecular Weight (g/mol): 225.247 MDL Number: MFCD00053614 InChI Key: ZISCOWXWCHUSMH-VOTSOKGWSA-N PubChem CID: 639659 ChEBI: CHEBI:377106 IUPAC Name: 1-nitro-4-[(E)-2-phenylethenyl]benzene SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]
| PubChem CID | 639659 |
|---|---|
| CAS | 1694-20-8 |
| Molecular Weight (g/mol) | 225.247 |
| ChEBI | CHEBI:377106 |
| MDL Number | MFCD00053614 |
| SMILES | C1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-] |
| IUPAC Name | 1-nitro-4-[(E)-2-phenylethenyl]benzene |
| InChI Key | ZISCOWXWCHUSMH-VOTSOKGWSA-N |
| Molecular Formula | C14H11NO2 |
(8-Quinolinolato)lithium 98.0+%, TCI America™
CAS: 25387-93-3 Molecular Formula: C9H6LiNO Molecular Weight (g/mol): 151.093 MDL Number: MFCD00152778 InChI Key: FQHFBFXXYOQXMN-UHFFFAOYSA-M PubChem CID: 23686653 IUPAC Name: lithium;quinolin-8-olate SMILES: [Li+].C1=CC2=C(C(=C1)[O-])N=CC=C2
| PubChem CID | 23686653 |
|---|---|
| CAS | 25387-93-3 |
| Molecular Weight (g/mol) | 151.093 |
| MDL Number | MFCD00152778 |
| SMILES | [Li+].C1=CC2=C(C(=C1)[O-])N=CC=C2 |
| IUPAC Name | lithium;quinolin-8-olate |
| InChI Key | FQHFBFXXYOQXMN-UHFFFAOYSA-M |
| Molecular Formula | C9H6LiNO |
2,2'-Sulfonylbis(4-tert-octylphenol) 96.0+%, TCI America™
CAS: 15452-89-8 Molecular Formula: C28H42O4S Molecular Weight (g/mol): 474.7 MDL Number: MFCD00026328 InChI Key: LMTGYJHIOQZSAA-UHFFFAOYSA-N Synonym: Bis(2-hydroxy-5-tert-octylphenyl) Sulfone, Bis[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl] Sulfone PubChem CID: 84923 IUPAC Name: 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O
| PubChem CID | 84923 |
|---|---|
| CAS | 15452-89-8 |
| Molecular Weight (g/mol) | 474.7 |
| MDL Number | MFCD00026328 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)S(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O |
| Synonym | Bis(2-hydroxy-5-tert-octylphenyl) Sulfone, Bis[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl] Sulfone |
| IUPAC Name | 2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenol |
| InChI Key | LMTGYJHIOQZSAA-UHFFFAOYSA-N |
| Molecular Formula | C28H42O4S |
(R)-(+)-XylBINAP 97.0+%, TCI America™
CAS: 137219-86-4 Molecular Formula: C52H48P2 Molecular Weight (g/mol): 734.904 MDL Number: MFCD01630821 InChI Key: MXGXXBYVDMVJAO-UHFFFAOYSA-N Synonym: s-dm-binap,dm-binap,r-dm-binap,s---2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,s-3,5-xylyl-binap,r-+-2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,3,5-xylyl-binap,s-xylyl-binap,r-2,2'-bis bis 3,5-dimethylphenyl phosphino-1,1'-binaphthalene,r-+-xylbinap PubChem CID: 4189905 IUPAC Name: [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane SMILES: CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
| PubChem CID | 4189905 |
|---|---|
| CAS | 137219-86-4 |
| Molecular Weight (g/mol) | 734.904 |
| MDL Number | MFCD01630821 |
| SMILES | CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C |
| Synonym | s-dm-binap,dm-binap,r-dm-binap,s---2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,s-3,5-xylyl-binap,r-+-2,2'-bis di 3,5-xylyl phosphino-1,1'-binaphthyl,3,5-xylyl-binap,s-xylyl-binap,r-2,2'-bis bis 3,5-dimethylphenyl phosphino-1,1'-binaphthalene,r-+-xylbinap |
| IUPAC Name | [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane |
| InChI Key | MXGXXBYVDMVJAO-UHFFFAOYSA-N |
| Molecular Formula | C52H48P2 |
Terephthalaldehyde Mono(diethyl Acetal) 97.0+%, TCI America™
CAS: 81172-89-6 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00010217 InChI Key: HTMXMFARWHNJDW-UHFFFAOYSA-N Synonym: 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde PubChem CID: 595993 IUPAC Name: 4-(diethoxymethyl)benzaldehyde SMILES: CCOC(OCC)C1=CC=C(C=O)C=C1
| PubChem CID | 595993 |
|---|---|
| CAS | 81172-89-6 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00010217 |
| SMILES | CCOC(OCC)C1=CC=C(C=O)C=C1 |
| Synonym | 4-diethoxymethyl benzaldehyde,terephthalaldehyde mono diethyl acetal,benzaldehyde, 4-diethoxymethyl,terephthaldehyde mono diethyl acetal,terephthalaldehyde mono-diethyl acetal,pubchem22621,acmc-209tbs,4-diethoxymethyl-benzaldehyde,4-diethoxymethy benzaldehyde,4-diethyoxymethyl benzaldehyde |
| IUPAC Name | 4-(diethoxymethyl)benzaldehyde |
| InChI Key | HTMXMFARWHNJDW-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
N-(p-Toluenesulfonyl)glycine 98.0+%, TCI America™
CAS: 1080-44-0 Molecular Formula: C9H11NO4S Molecular Weight (g/mol): 229.25 MDL Number: MFCD00045898 InChI Key: VDKFCCZUCXYILI-UHFFFAOYSA-N Synonym: n-p-tosylglycine,tos-gly-oh,n-tosylglycine,2-4-methylphenylsulfonamido acetic acid,n-4-methylphenyl sulfonyl glycine,n-p-toluenesulfonyl glycine,n-4-tosylglycine,glycine, n-4-methylphenyl sulfonyl,n-toluene-4-sulfonyl-glycine,toluene-4-sulfonylamino-acetic acid PubChem CID: 70653 IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O
| PubChem CID | 70653 |
|---|---|
| CAS | 1080-44-0 |
| Molecular Weight (g/mol) | 229.25 |
| MDL Number | MFCD00045898 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O |
| Synonym | n-p-tosylglycine,tos-gly-oh,n-tosylglycine,2-4-methylphenylsulfonamido acetic acid,n-4-methylphenyl sulfonyl glycine,n-p-toluenesulfonyl glycine,n-4-tosylglycine,glycine, n-4-methylphenyl sulfonyl,n-toluene-4-sulfonyl-glycine,toluene-4-sulfonylamino-acetic acid |
| IUPAC Name | 2-[(4-methylphenyl)sulfonylamino]acetic acid |
| InChI Key | VDKFCCZUCXYILI-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO4S |
3-Bromo-4-chloronitrobenzene 97.0+%, TCI America™
CAS: 16588-26-4 Molecular Formula: C6H3BrClNO2 Molecular Weight (g/mol): 236.45 MDL Number: MFCD00100437 InChI Key: CGTVUAQWGSZCFH-UHFFFAOYSA-N PubChem CID: 2735549 IUPAC Name: 2-bromo-1-chloro-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Br)=C(Cl)C=C1
| PubChem CID | 2735549 |
|---|---|
| CAS | 16588-26-4 |
| Molecular Weight (g/mol) | 236.45 |
| MDL Number | MFCD00100437 |
| SMILES | [O-][N+](=O)C1=CC(Br)=C(Cl)C=C1 |
| IUPAC Name | 2-bromo-1-chloro-4-nitrobenzene |
| InChI Key | CGTVUAQWGSZCFH-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClNO2 |
(2,4-Difluorophenyl)thiourea 98.0+%, TCI America™
CAS: 175277-76-6 Molecular Formula: C7H6F2N2S Molecular Weight (g/mol): 188.196 MDL Number: MFCD00041150 InChI Key: DZZSKQFBAGZNSH-UHFFFAOYSA-N Synonym: 2,4-difluorophenyl thiourea,1-2,4-difluorophenyl thiourea,1-2,4-difluorophenyl-2-thiourea,n-2,4-difluorophenyl thiourea,thiourea,n-2,4-difluorophenyl,amino 2,4-difluorophenyl amino methane-1-thione,acmc-1bxvl,buttpark 12118-31,difluorophenylthioacetonitrile,2,4-difluoro-phenyl-thiourea PubChem CID: 2734207 IUPAC Name: (2,4-difluorophenyl)thiourea SMILES: C1=CC(=C(C=C1F)F)NC(=S)N
| PubChem CID | 2734207 |
|---|---|
| CAS | 175277-76-6 |
| Molecular Weight (g/mol) | 188.196 |
| MDL Number | MFCD00041150 |
| SMILES | C1=CC(=C(C=C1F)F)NC(=S)N |
| Synonym | 2,4-difluorophenyl thiourea,1-2,4-difluorophenyl thiourea,1-2,4-difluorophenyl-2-thiourea,n-2,4-difluorophenyl thiourea,thiourea,n-2,4-difluorophenyl,amino 2,4-difluorophenyl amino methane-1-thione,acmc-1bxvl,buttpark 12118-31,difluorophenylthioacetonitrile,2,4-difluoro-phenyl-thiourea |
| IUPAC Name | (2,4-difluorophenyl)thiourea |
| InChI Key | DZZSKQFBAGZNSH-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2N2S |
3,5-Difluorobenzaldehyde 98.0+%, TCI America™
CAS: 32085-88-4 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010329 InChI Key: ASOFZHSTJHGQDT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone PubChem CID: 588160 IUPAC Name: 3,5-difluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)F)C=O
| PubChem CID | 588160 |
|---|---|
| CAS | 32085-88-4 |
| Molecular Weight (g/mol) | 142.105 |
| MDL Number | MFCD00010329 |
| SMILES | C1=C(C=C(C=C1F)F)C=O |
| Synonym | benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone |
| IUPAC Name | 3,5-difluorobenzaldehyde |
| InChI Key | ASOFZHSTJHGQDT-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O |
(1,10-Phenanthroline)(trifluoromethyl)(triphenylphosphine)copper(I) 95.0+%, TCI America™
CAS: 1334890-93-5 Molecular Formula: C31H23CuF3N2P Molecular Weight (g/mol): 575.05 MDL Number: MFCD28386111 InChI Key: AKGOGTMOALVICI-UHFFFAOYSA-N PubChem CID: 88921701 IUPAC Name: λ¹-copper(1+) 1,10-phenanthroline trifluoromethanide triphenylphosphane SMILES: [Cu+].F[C-](F)F.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 88921701 |
|---|---|
| CAS | 1334890-93-5 |
| Molecular Weight (g/mol) | 575.05 |
| MDL Number | MFCD28386111 |
| SMILES | [Cu+].F[C-](F)F.C1=CN=C2C(C=CC3=CC=CN=C23)=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | λ¹-copper(1+) 1,10-phenanthroline trifluoromethanide triphenylphosphane |
| InChI Key | AKGOGTMOALVICI-UHFFFAOYSA-N |
| Molecular Formula | C31H23CuF3N2P |
4-Methoxy-3-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 213598-09-5 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.15 MDL Number: MFCD01091014 InChI Key: VNWUPESTVBTYJM-UHFFFAOYSA-N Synonym: 4-methoxy-3-trifluoromethyl benzoic acid,4-methoxy-3-trifluoromethyl-benzoic acid,acmc-1cr7h,3-trifluoromethyl-4-methoxybenzoic acid,benzoic acid, 4-methoxy-3-trifluoromethyl,4-methyloxy-3-trifluoromethyl benzoic acid PubChem CID: 2775295 IUPAC Name: 4-methoxy-3-(trifluoromethyl)benzoic acid SMILES: COC1=CC=C(C=C1C(F)(F)F)C(O)=O
| PubChem CID | 2775295 |
|---|---|
| CAS | 213598-09-5 |
| Molecular Weight (g/mol) | 220.15 |
| MDL Number | MFCD01091014 |
| SMILES | COC1=CC=C(C=C1C(F)(F)F)C(O)=O |
| Synonym | 4-methoxy-3-trifluoromethyl benzoic acid,4-methoxy-3-trifluoromethyl-benzoic acid,acmc-1cr7h,3-trifluoromethyl-4-methoxybenzoic acid,benzoic acid, 4-methoxy-3-trifluoromethyl,4-methyloxy-3-trifluoromethyl benzoic acid |
| IUPAC Name | 4-methoxy-3-(trifluoromethyl)benzoic acid |
| InChI Key | VNWUPESTVBTYJM-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O3 |
4,5-Dimethoxy-2-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 4998-07-6 Molecular Formula: C9H8NO6 Molecular Weight (g/mol): 226.17 MDL Number: MFCD00014697 InChI Key: WWCMFGBGMJAJRX-UHFFFAOYSA-M Synonym: 4,5-dimethoxy-2-nitrobenzoic acid,6-nitroveratric acid,3,4-dimethoxy-6-nitrobenzoic acid,benzoic acid, 4,5-dimethoxy-2-nitro,zlchem 681,acmc-2097gn,ksc496i5r,4,5-dimethoxy-2-nitrobenzoicacid,2-nitro-4,5-dimethoxybenzoic acid,4,5-dimethoxy-2-nitro-benzoic acid PubChem CID: 78690 SMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC
| PubChem CID | 78690 |
|---|---|
| CAS | 4998-07-6 |
| Molecular Weight (g/mol) | 226.17 |
| MDL Number | MFCD00014697 |
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC |
| Synonym | 4,5-dimethoxy-2-nitrobenzoic acid,6-nitroveratric acid,3,4-dimethoxy-6-nitrobenzoic acid,benzoic acid, 4,5-dimethoxy-2-nitro,zlchem 681,acmc-2097gn,ksc496i5r,4,5-dimethoxy-2-nitrobenzoicacid,2-nitro-4,5-dimethoxybenzoic acid,4,5-dimethoxy-2-nitro-benzoic acid |
| InChI Key | WWCMFGBGMJAJRX-UHFFFAOYSA-M |
| Molecular Formula | C9H8NO6 |
3,4-Difluorobenzyl Bromide 98.0+%, TCI America™
CAS: 85118-01-0 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00009889 InChI Key: JJIFTOPVKWDHJI-UHFFFAOYSA-N Synonym: 3,4-difluorobenzyl bromide,4-bromomethyl-1,2-difluorobenzene,3,4-difluorobenzylbromide,alpha-bromo-3,4-difluorotoluene,3, 4-difluorobenzyl bromide,benzene, 4-bromomethyl-1,2-difluoro,a-bromo-3,4-difluorotoluene,4-bromomethyl-1,2-difluoro-benzene,fr bf d1e,pubchem4917 PubChem CID: 581436 IUPAC Name: 4-(bromomethyl)-1,2-difluorobenzene SMILES: FC1=CC=C(CBr)C=C1F
| PubChem CID | 581436 |
|---|---|
| CAS | 85118-01-0 |
| Molecular Weight (g/mol) | 207.02 |
| MDL Number | MFCD00009889 |
| SMILES | FC1=CC=C(CBr)C=C1F |
| Synonym | 3,4-difluorobenzyl bromide,4-bromomethyl-1,2-difluorobenzene,3,4-difluorobenzylbromide,alpha-bromo-3,4-difluorotoluene,3, 4-difluorobenzyl bromide,benzene, 4-bromomethyl-1,2-difluoro,a-bromo-3,4-difluorotoluene,4-bromomethyl-1,2-difluoro-benzene,fr bf d1e,pubchem4917 |
| IUPAC Name | 4-(bromomethyl)-1,2-difluorobenzene |
| InChI Key | JJIFTOPVKWDHJI-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2 |
2-Fluoro-6-(trifluoromethyl)benzonitrile 98.0+%, TCI America™
CAS: 133116-83-3 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.113 MDL Number: MFCD00061153 InChI Key: OGQYJDHTHFAPRN-UHFFFAOYSA-N Synonym: 2-fluoro-6-trifluoromethyl benzonitrile,2-cyano-3-fluorobenzotrifluoride,2-fluoro-6-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-6-trifluoromethyl,.alpha.,.alpha.,.alpha.,6-tetrafluoro-o-tolunitrile,pubchem4799,acmc-1cgr6,intermediates-zcf02031,ksc495m8r PubChem CID: 145613 IUPAC Name: 2-fluoro-6-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C(=C1)F)C#N)C(F)(F)F
| PubChem CID | 145613 |
|---|---|
| CAS | 133116-83-3 |
| Molecular Weight (g/mol) | 189.113 |
| MDL Number | MFCD00061153 |
| SMILES | C1=CC(=C(C(=C1)F)C#N)C(F)(F)F |
| Synonym | 2-fluoro-6-trifluoromethyl benzonitrile,2-cyano-3-fluorobenzotrifluoride,2-fluoro-6-trifluoromethyl-benzonitrile,benzonitrile, 2-fluoro-6-trifluoromethyl,.alpha.,.alpha.,.alpha.,6-tetrafluoro-o-tolunitrile,pubchem4799,acmc-1cgr6,intermediates-zcf02031,ksc495m8r |
| IUPAC Name | 2-fluoro-6-(trifluoromethyl)benzonitrile |
| InChI Key | OGQYJDHTHFAPRN-UHFFFAOYSA-N |
| Molecular Formula | C8H3F4N |