Benzene and substituted derivatives
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Methyl 2,5-Dihydroxybenzoate 98.0+%, TCI America™
CAS: 2150-46-1 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016464 InChI Key: XGDPKUKRQHHZTH-UHFFFAOYSA-N Synonym: methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 PubChem CID: 75077 IUPAC Name: methyl 2,5-dihydroxybenzoate SMILES: COC(=O)C1=CC(O)=CC=C1O
| PubChem CID | 75077 |
|---|---|
| CAS | 2150-46-1 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00016464 |
| SMILES | COC(=O)C1=CC(O)=CC=C1O |
| Synonym | methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 |
| IUPAC Name | methyl 2,5-dihydroxybenzoate |
| InChI Key | XGDPKUKRQHHZTH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic Acid 98.0+%, TCI America™
CAS: 17257-71-5 Molecular Formula: C10H8F3O3 Molecular Weight (g/mol): 233.17 MDL Number: MFCD00064200 InChI Key: JJYKJUXBWFATTE-VIFPVBQESA-M Synonym: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid PubChem CID: 6992788 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
| PubChem CID | 6992788 |
|---|---|
| CAS | 17257-71-5 |
| Molecular Weight (g/mol) | 233.17 |
| MDL Number | MFCD00064200 |
| SMILES | CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F |
| Synonym | s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid |
| IUPAC Name | (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate |
| InChI Key | JJYKJUXBWFATTE-VIFPVBQESA-M |
| Molecular Formula | C10H8F3O3 |
tert-Butyl (Triphenylphosphoranylidene)carbamate 98.0+%, TCI America™
CAS: 68014-21-1 Molecular Formula: C23H24NO2P Molecular Weight (g/mol): 377.424 MDL Number: MFCD00798174 InChI Key: KNXPVXCUELYHDM-UHFFFAOYSA-N Synonym: (Triphenylphosphoranylidene)carbamic Acid tert-Butyl Ester, N-(tert-Butoxycarbonyl)imino(triphenyl)phosphorane, N-Boc-imino(triphenyl)phosphorane PubChem CID: 2756802 IUPAC Name: tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate SMILES: CC(C)(C)OC(=O)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 2756802 |
|---|---|
| CAS | 68014-21-1 |
| Molecular Weight (g/mol) | 377.424 |
| MDL Number | MFCD00798174 |
| SMILES | CC(C)(C)OC(=O)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | (Triphenylphosphoranylidene)carbamic Acid tert-Butyl Ester, N-(tert-Butoxycarbonyl)imino(triphenyl)phosphorane, N-Boc-imino(triphenyl)phosphorane |
| IUPAC Name | tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate |
| InChI Key | KNXPVXCUELYHDM-UHFFFAOYSA-N |
| Molecular Formula | C23H24NO2P |
Dimethyl 1,4-Naphthalenedicarboxylate 98.0+%, TCI America™
CAS: 7487-15-2 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.246 MDL Number: MFCD04038075 InChI Key: OCSXMIBZIHMVCP-UHFFFAOYSA-N Synonym: 1,4-Naphthalenedicarboxylic Acid Dimethyl Ester PubChem CID: 11064621 IUPAC Name: dimethyl naphthalene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)OC
| PubChem CID | 11064621 |
|---|---|
| CAS | 7487-15-2 |
| Molecular Weight (g/mol) | 244.246 |
| MDL Number | MFCD04038075 |
| SMILES | COC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)OC |
| Synonym | 1,4-Naphthalenedicarboxylic Acid Dimethyl Ester |
| IUPAC Name | dimethyl naphthalene-1,4-dicarboxylate |
| InChI Key | OCSXMIBZIHMVCP-UHFFFAOYSA-N |
| Molecular Formula | C14H12O4 |
Carbonylchlorobis(triphenylphosphine)iridium(I) 95.0+%, TCI America™
CAS: 14871-41-1 Molecular Formula: C37H30ClIrOP2 Molecular Weight (g/mol): 780.26 MDL Number: MFCD00009590 InChI Key: PEPSDKMVHYXIMJ-UHFFFAOYSA-M Synonym: carbonylchlorobis triphenylphosphine iridium i PubChem CID: 78076234 IUPAC Name: chloroiridiumylium; methanidylidyneoxidanium; bis(triphenylphosphane) SMILES: Cl[Ir+].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 78076234 |
|---|---|
| CAS | 14871-41-1 |
| Molecular Weight (g/mol) | 780.26 |
| MDL Number | MFCD00009590 |
| SMILES | Cl[Ir+].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbonylchlorobis triphenylphosphine iridium i |
| IUPAC Name | chloroiridiumylium; methanidylidyneoxidanium; bis(triphenylphosphane) |
| InChI Key | PEPSDKMVHYXIMJ-UHFFFAOYSA-M |
| Molecular Formula | C37H30ClIrOP2 |
2-Methylbenzophenone 98.0+%, TCI America™
CAS: 131-58-8 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008518 InChI Key: CKGKXGQVRVAKEA-UHFFFAOYSA-N Synonym: 2-methylbenzophenone,o-methylbenzophenone,methanone, 2-methylphenyl phenyl,phenyl o-tolyl ketone,2-methylphenyl phenyl methanone,benzophenone, 2-methyl,2-methylphenyl-phenylmethanone,unii-lsn1480nff,phenyl tolyl ketone,phenyl 2-tolyl ketone PubChem CID: 67230 IUPAC Name: (2-methylphenyl)-phenylmethanone SMILES: CC1=CC=CC=C1C(=O)C2=CC=CC=C2
| PubChem CID | 67230 |
|---|---|
| CAS | 131-58-8 |
| Molecular Weight (g/mol) | 196.249 |
| MDL Number | MFCD00008518 |
| SMILES | CC1=CC=CC=C1C(=O)C2=CC=CC=C2 |
| Synonym | 2-methylbenzophenone,o-methylbenzophenone,methanone, 2-methylphenyl phenyl,phenyl o-tolyl ketone,2-methylphenyl phenyl methanone,benzophenone, 2-methyl,2-methylphenyl-phenylmethanone,unii-lsn1480nff,phenyl tolyl ketone,phenyl 2-tolyl ketone |
| IUPAC Name | (2-methylphenyl)-phenylmethanone |
| InChI Key | CKGKXGQVRVAKEA-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
2-Chloro-1,3-difluorobenzene 98.0+%, TCI America™
CAS: 38361-37-4 Molecular Formula: C6H3ClF2 Molecular Weight (g/mol): 148.537 MDL Number: MFCD00142604 InChI Key: OTZQYBFTOANOJO-UHFFFAOYSA-N PubChem CID: 142257 IUPAC Name: 2-chloro-1,3-difluorobenzene SMILES: C1=CC(=C(C(=C1)F)Cl)F
| PubChem CID | 142257 |
|---|---|
| CAS | 38361-37-4 |
| Molecular Weight (g/mol) | 148.537 |
| MDL Number | MFCD00142604 |
| SMILES | C1=CC(=C(C(=C1)F)Cl)F |
| IUPAC Name | 2-chloro-1,3-difluorobenzene |
| InChI Key | OTZQYBFTOANOJO-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClF2 |
2,5-Dibromo-1,3-difluorobenzene 98.0+%, TCI America™
CAS: 128259-71-2 Molecular Formula: C6H2Br2F2 Molecular Weight (g/mol): 271.887 MDL Number: MFCD07783665 InChI Key: OCUXAWVQPORIBP-UHFFFAOYSA-N PubChem CID: 24721227 IUPAC Name: 2,5-dibromo-1,3-difluorobenzene SMILES: C1=C(C=C(C(=C1F)Br)F)Br
| PubChem CID | 24721227 |
|---|---|
| CAS | 128259-71-2 |
| Molecular Weight (g/mol) | 271.887 |
| MDL Number | MFCD07783665 |
| SMILES | C1=C(C=C(C(=C1F)Br)F)Br |
| IUPAC Name | 2,5-dibromo-1,3-difluorobenzene |
| InChI Key | OCUXAWVQPORIBP-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2F2 |
(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic Acid 98.0+%, TCI America™
CAS: 20445-31-2 Molecular Formula: C10H9F3O3 Molecular Weight (g/mol): 234.17 MDL Number: MFCD00004184 InChI Key: JJYKJUXBWFATTE-UHFFFAOYNA-N Synonym: +-mtpa,unii-27o5l9t1wm,r-moshers acid,+-mosher's acid,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-alpha-methoxy-alpha-trifluoromethylphenylacetic acid,r-mtpa,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-a-methoxy-a-trifluoromethylphenylacetic acid,r-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid PubChem CID: 2723917 IUPAC Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F
| PubChem CID | 2723917 |
|---|---|
| CAS | 20445-31-2 |
| Molecular Weight (g/mol) | 234.17 |
| MDL Number | MFCD00004184 |
| SMILES | COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F |
| Synonym | +-mtpa,unii-27o5l9t1wm,r-moshers acid,+-mosher's acid,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-alpha-methoxy-alpha-trifluoromethylphenylacetic acid,r-mtpa,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-a-methoxy-a-trifluoromethylphenylacetic acid,r-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid |
| IUPAC Name | 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid |
| InChI Key | JJYKJUXBWFATTE-UHFFFAOYNA-N |
| Molecular Formula | C10H9F3O3 |
2,4-Dihydroxybenzophenone 98.0+%, TCI America™
CAS: 131-56-6 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002277 InChI Key: ZXDDPOHVAMWLBH-UHFFFAOYSA-N Synonym: 2,4-dihydroxybenzophenone,2,4-dihydroxyphenyl phenyl methanone,benzophenone-1,benzoresorcinol,resbenzophenone,inhibitor dhbp,uvinul 400,advastab 48,uvistat 12,methanone, 2,4-dihydroxyphenyl phenyl PubChem CID: 8572 ChEBI: CHEBI:34240 IUPAC Name: (2,4-dihydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O
| PubChem CID | 8572 |
|---|---|
| CAS | 131-56-6 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34240 |
| MDL Number | MFCD00002277 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O |
| Synonym | 2,4-dihydroxybenzophenone,2,4-dihydroxyphenyl phenyl methanone,benzophenone-1,benzoresorcinol,resbenzophenone,inhibitor dhbp,uvinul 400,advastab 48,uvistat 12,methanone, 2,4-dihydroxyphenyl phenyl |
| IUPAC Name | (2,4-dihydroxyphenyl)-phenylmethanone |
| InChI Key | ZXDDPOHVAMWLBH-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
Dinonyl Phthalate (mixture of isomers) 95.0+%, TCI America™
CAS: 84-76-4 Molecular Formula: C26H42O4 Molecular Weight (g/mol): 418.62 MDL Number: MFCD00036237 InChI Key: DROMNWUQASBTFM-UHFFFAOYSA-N Synonym: dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91 PubChem CID: 6787 IUPAC Name: 1,2-dinonyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
| PubChem CID | 6787 |
|---|---|
| CAS | 84-76-4 |
| Molecular Weight (g/mol) | 418.62 |
| MDL Number | MFCD00036237 |
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC |
| Synonym | dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91 |
| IUPAC Name | 1,2-dinonyl benzene-1,2-dicarboxylate |
| InChI Key | DROMNWUQASBTFM-UHFFFAOYSA-N |
| Molecular Formula | C26H42O4 |
4-Bromo-2-nitrobenzaldehyde 96.0+%, TCI America™
CAS: 5551-12-2 Molecular Formula: C7H4BrNO3 Molecular Weight (g/mol): 230.02 MDL Number: MFCD00463687 InChI Key: GSXUXSXBEUJRAJ-UHFFFAOYSA-N PubChem CID: 608099 IUPAC Name: 4-bromo-2-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])C=O
| PubChem CID | 608099 |
|---|---|
| CAS | 5551-12-2 |
| Molecular Weight (g/mol) | 230.02 |
| MDL Number | MFCD00463687 |
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])C=O |
| IUPAC Name | 4-bromo-2-nitrobenzaldehyde |
| InChI Key | GSXUXSXBEUJRAJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO3 |
5-Chloro-2-fluorotoluene 97.0+%, TCI America™
CAS: 452-66-4 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00018504 InChI Key: JOXXHDGUTVUBDL-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorotoluene,2-fluoro-5-chlorotoluene,benzene, 4-chloro-1-fluoro-2-methyl,pubchem1609,acmc-209k1f,5-chloro-2-fluoro-toluene,ksc493m8d,joxxhdgutvubdl-uhfffaoysa,1-chloro-4-fluoro-3-methylbenzene PubChem CID: 2725113 IUPAC Name: 4-chloro-1-fluoro-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Cl)F
| PubChem CID | 2725113 |
|---|---|
| CAS | 452-66-4 |
| Molecular Weight (g/mol) | 144.573 |
| MDL Number | MFCD00018504 |
| SMILES | CC1=C(C=CC(=C1)Cl)F |
| Synonym | 5-chloro-2-fluorotoluene,2-fluoro-5-chlorotoluene,benzene, 4-chloro-1-fluoro-2-methyl,pubchem1609,acmc-209k1f,5-chloro-2-fluoro-toluene,ksc493m8d,joxxhdgutvubdl-uhfffaoysa,1-chloro-4-fluoro-3-methylbenzene |
| IUPAC Name | 4-chloro-1-fluoro-2-methylbenzene |
| InChI Key | JOXXHDGUTVUBDL-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClF |
1-Fluoro-3-(trifluoromethoxy)benzene 98.0+%, TCI America™
CAS: 1077-01-6 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.102 MDL Number: MFCD00236323 InChI Key: AUKDFDQPJWJEDH-UHFFFAOYSA-N PubChem CID: 2777286 IUPAC Name: 1-fluoro-3-(trifluoromethoxy)benzene SMILES: C1=CC(=CC(=C1)F)OC(F)(F)F
| PubChem CID | 2777286 |
|---|---|
| CAS | 1077-01-6 |
| Molecular Weight (g/mol) | 180.102 |
| MDL Number | MFCD00236323 |
| SMILES | C1=CC(=CC(=C1)F)OC(F)(F)F |
| IUPAC Name | 1-fluoro-3-(trifluoromethoxy)benzene |
| InChI Key | AUKDFDQPJWJEDH-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |
Bis(2-bromophenyl)acetylene 96.0+%, TCI America™
CAS: 38399-13-2 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.03 MDL Number: MFCD00238712 InChI Key: RVGSIXSCGKMAOK-UHFFFAOYSA-N PubChem CID: 346617 IUPAC Name: 1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene SMILES: BrC1=CC=CC=C1C#CC1=CC=CC=C1Br
| PubChem CID | 346617 |
|---|---|
| CAS | 38399-13-2 |
| Molecular Weight (g/mol) | 336.03 |
| MDL Number | MFCD00238712 |
| SMILES | BrC1=CC=CC=C1C#CC1=CC=CC=C1Br |
| IUPAC Name | 1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene |
| InChI Key | RVGSIXSCGKMAOK-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2 |