Benzene and substituted derivatives
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o-Tolualdehyde, 98%, stab. with 0.1% hydroquinone
CAS: 529-20-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00003338 InChI Key: BTFQKIATRPGRBS-UHFFFAOYSA-N Synonym: o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde PubChem CID: 10722 ChEBI: CHEBI:27434 IUPAC Name: 2-methylbenzaldehyde SMILES: CC1=CC=CC=C1C=O
| PubChem CID | 10722 |
|---|---|
| CAS | 529-20-4 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:27434 |
| MDL Number | MFCD00003338 |
| SMILES | CC1=CC=CC=C1C=O |
| Synonym | o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde |
| IUPAC Name | 2-methylbenzaldehyde |
| InChI Key | BTFQKIATRPGRBS-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
2,3-Difluorophenylacetic acid, 98%
CAS: 145689-41-4 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00040968 InChI Key: UXSQXUSJGPVOKT-UHFFFAOYSA-N Synonym: 2,3-difluorophenylacetic acid,2-2,3-difluorophenyl acetic acid,2,3-difluorophenyl acetic acid,2,3-difluorophenylaceticacid,benzeneacetic acid, 2,3-difluoro,2,3-difluorobenzeneacetic acid,rarechem al bo 0630,pubchem1916,acmc-1crot PubChem CID: 520772 IUPAC Name: 2-(2,3-difluorophenyl)acetic acid SMILES: C1=CC(=C(C(=C1)F)F)CC(=O)O
| PubChem CID | 520772 |
|---|---|
| CAS | 145689-41-4 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00040968 |
| SMILES | C1=CC(=C(C(=C1)F)F)CC(=O)O |
| Synonym | 2,3-difluorophenylacetic acid,2-2,3-difluorophenyl acetic acid,2,3-difluorophenyl acetic acid,2,3-difluorophenylaceticacid,benzeneacetic acid, 2,3-difluoro,2,3-difluorobenzeneacetic acid,rarechem al bo 0630,pubchem1916,acmc-1crot |
| IUPAC Name | 2-(2,3-difluorophenyl)acetic acid |
| InChI Key | UXSQXUSJGPVOKT-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
1-Bromo-2-chloro-4-nitrobenzene, 98%
CAS: 29682-39-1 Molecular Formula: C6H3BrClNO2 Molecular Weight (g/mol): 236.449 MDL Number: MFCD00051514 InChI Key: YKSXEJZFIQAUHJ-UHFFFAOYSA-N Synonym: 4-bromo-3-chloronitrobenzene,benzene,1-bromo-2-chloro-4-nitro,pubchem22601,acmc-209vlc,2-chloro-4-nitro-bromobenzene,4-bromo-3-chloro-nitrobenzene,bromo-2-chloro-4-nitrobenzene,1-bromanyl-2-chloranyl-4-nitro-benzene PubChem CID: 34667 IUPAC Name: 1-bromo-2-chloro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br
| PubChem CID | 34667 |
|---|---|
| CAS | 29682-39-1 |
| Molecular Weight (g/mol) | 236.449 |
| MDL Number | MFCD00051514 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br |
| Synonym | 4-bromo-3-chloronitrobenzene,benzene,1-bromo-2-chloro-4-nitro,pubchem22601,acmc-209vlc,2-chloro-4-nitro-bromobenzene,4-bromo-3-chloro-nitrobenzene,bromo-2-chloro-4-nitrobenzene,1-bromanyl-2-chloranyl-4-nitro-benzene |
| IUPAC Name | 1-bromo-2-chloro-4-nitrobenzene |
| InChI Key | YKSXEJZFIQAUHJ-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClNO2 |
3,4-Difluorobenzoyl chloride, 98%
CAS: 76903-88-3 Molecular Formula: C7H3ClF2O Molecular Weight (g/mol): 176.55 MDL Number: MFCD00009930 InChI Key: RPQWXGVZELKOEU-UHFFFAOYSA-N Synonym: 3,4-difluorobenzoylchloride,benzoyl chloride, 3,4-difluoro,3,4-difluoro benzoyl chloride,pubchem14796,acmc-209p6r,3,4 difluorobenzoylchloride,3,4-diflorobenzoyl chloride,3,4-difluorobezoyl chloride,3,4-diflourobenzoyl chloride,ksc494e2f PubChem CID: 2724519 IUPAC Name: 3,4-difluorobenzoyl chloride SMILES: FC1=CC=C(C=C1F)C(Cl)=O
| PubChem CID | 2724519 |
|---|---|
| CAS | 76903-88-3 |
| Molecular Weight (g/mol) | 176.55 |
| MDL Number | MFCD00009930 |
| SMILES | FC1=CC=C(C=C1F)C(Cl)=O |
| Synonym | 3,4-difluorobenzoylchloride,benzoyl chloride, 3,4-difluoro,3,4-difluoro benzoyl chloride,pubchem14796,acmc-209p6r,3,4 difluorobenzoylchloride,3,4-diflorobenzoyl chloride,3,4-difluorobezoyl chloride,3,4-diflourobenzoyl chloride,ksc494e2f |
| IUPAC Name | 3,4-difluorobenzoyl chloride |
| InChI Key | RPQWXGVZELKOEU-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF2O |
(Phenylsulfonyl)acetic acid, 97%
CAS: 3959-23-7 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00025042 InChI Key: YTEFAALYDTWTLB-UHFFFAOYSA-N Synonym: phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid PubChem CID: 59543 IUPAC Name: 2-(benzenesulfonyl)acetic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)CC(=O)O
| PubChem CID | 59543 |
|---|---|
| CAS | 3959-23-7 |
| Molecular Weight (g/mol) | 200.208 |
| MDL Number | MFCD00025042 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC(=O)O |
| Synonym | phenylsulfonyl acetic acid,2-phenylsulfonyl acetic acid,2-benzenesulfonyl acetic acid,phenylsulfonylacetic acid,acetic acid, phenylsulfonyl,benzenesulfonyl-acetic acid,benzenesulfonyl acetic acid,2-phenylsulphonyl acetic acid,benzenesulfonylacetic acid,phenyl sulfonylacetic acid |
| IUPAC Name | 2-(benzenesulfonyl)acetic acid |
| InChI Key | YTEFAALYDTWTLB-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4S |
2,2-Diphenylacetamide, 98%
CAS: 4695-13-0 Molecular Formula: C14H13NO Molecular Weight (g/mol): 211.264 MDL Number: MFCD00025496 InChI Key: ZXQVXEAZKZFEEP-UHFFFAOYSA-N Synonym: diphenylacetic acid amide,acetamide, 2,2-diphenyl,alpha-phenylbenzeneacetamide,alpha,alpha-diphenylacetamide,unii-yzx41252dl,2,2-diphenylethanamide,benzeneacetamide, .alpha.-phenyl,.alpha.,.alpha.-diphenylacetamide,acmc-20aojh,2,2-diphenylacetamid PubChem CID: 78420 IUPAC Name: 2,2-diphenylacetamide SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N
| PubChem CID | 78420 |
|---|---|
| CAS | 4695-13-0 |
| Molecular Weight (g/mol) | 211.264 |
| MDL Number | MFCD00025496 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N |
| Synonym | diphenylacetic acid amide,acetamide, 2,2-diphenyl,alpha-phenylbenzeneacetamide,alpha,alpha-diphenylacetamide,unii-yzx41252dl,2,2-diphenylethanamide,benzeneacetamide, .alpha.-phenyl,.alpha.,.alpha.-diphenylacetamide,acmc-20aojh,2,2-diphenylacetamid |
| IUPAC Name | 2,2-diphenylacetamide |
| InChI Key | ZXQVXEAZKZFEEP-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO |
2-Chlorobenzophenone, 99+%
CAS: 3-8-5162 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.66 MDL Number: MFCD00000558 InChI Key: VMHYWKBKHMYRNF-UHFFFAOYSA-N
| CAS | 3-8-5162 |
|---|---|
| Molecular Weight (g/mol) | 216.66 |
| MDL Number | MFCD00000558 |
| InChI Key | VMHYWKBKHMYRNF-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO |
Tetraphenylphosphonium bromide, 98+%
CAS: 2751-90-8 Molecular Formula: C24H20BrP Molecular Weight (g/mol): 419.30 MDL Number: MFCD00011915 InChI Key: BRKFQVAOMSWFDU-UHFFFAOYSA-M Synonym: tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide PubChem CID: 2724163 IUPAC Name: tetraphenylphosphanium;bromide SMILES: [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724163 |
|---|---|
| CAS | 2751-90-8 |
| Molecular Weight (g/mol) | 419.30 |
| MDL Number | MFCD00011915 |
| SMILES | [Br-].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetraphenylphosphonium bromide,phosphonium, tetraphenyl-, bromide,tetraphenylphosphoniumbromide,tetraphenylphosponium bromide,tetraphenylphosphanium bromide,phosphonium, tetraphenyl-, bromide 1:1,ph4pbr,bromotetraphenylphosphorane,acmc-1ce9k,tetraphenylphosphorus bromide |
| IUPAC Name | tetraphenylphosphanium;bromide |
| InChI Key | BRKFQVAOMSWFDU-UHFFFAOYSA-M |
| Molecular Formula | C24H20BrP |
4-Bromotoluene, 98%
CAS: 106-38-7 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000109 InChI Key: ZBTMRBYMKUEVEU-UHFFFAOYSA-N Synonym: 4-bromotoluene,p-bromotoluene,4-methylbromobenzene,p-tolyl bromide,benzene, 1-bromo-4-methyl,toluene, p-bromo,p-methylphenyl bromide,p-methylbromobenzene,1-methyl-4-bromobenzene,4-bromo-1-methylbenzene PubChem CID: 7805 IUPAC Name: 1-bromo-4-methylbenzene SMILES: CC1=CC=C(Br)C=C1
| PubChem CID | 7805 |
|---|---|
| CAS | 106-38-7 |
| Molecular Weight (g/mol) | 171.04 |
| MDL Number | MFCD00000109 |
| SMILES | CC1=CC=C(Br)C=C1 |
| Synonym | 4-bromotoluene,p-bromotoluene,4-methylbromobenzene,p-tolyl bromide,benzene, 1-bromo-4-methyl,toluene, p-bromo,p-methylphenyl bromide,p-methylbromobenzene,1-methyl-4-bromobenzene,4-bromo-1-methylbenzene |
| IUPAC Name | 1-bromo-4-methylbenzene |
| InChI Key | ZBTMRBYMKUEVEU-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br |
4-Bromo-2-fluoro-1-iodobenzene, 98%
CAS: 105931-73-5 Molecular Formula: C6H3BrFI Molecular Weight (g/mol): 300.90 MDL Number: MFCD00010608 InChI Key: XRMZKCQCINEBEI-UHFFFAOYSA-N Synonym: 1-bromo-3-fluoro-4-iodobenzene,3-fluoro-4-iodobromobenzene,2-fluoro-4-bromoiodobenzene,4-bromo-2-fluoroiodobenzene,4-bromo-2-fluoro-1-iodo-benzene,benzene, 4-bromo-2-fluoro-1-iodo,pubchem3232,acmc-2098hz,2-fluoro-4-bromo iodobenzene,3-fluoro-4-iodo-bromobenzene PubChem CID: 2724516 IUPAC Name: 4-bromo-2-fluoro-1-iodobenzene SMILES: FC1=C(I)C=CC(Br)=C1
| PubChem CID | 2724516 |
|---|---|
| CAS | 105931-73-5 |
| Molecular Weight (g/mol) | 300.90 |
| MDL Number | MFCD00010608 |
| SMILES | FC1=C(I)C=CC(Br)=C1 |
| Synonym | 1-bromo-3-fluoro-4-iodobenzene,3-fluoro-4-iodobromobenzene,2-fluoro-4-bromoiodobenzene,4-bromo-2-fluoroiodobenzene,4-bromo-2-fluoro-1-iodo-benzene,benzene, 4-bromo-2-fluoro-1-iodo,pubchem3232,acmc-2098hz,2-fluoro-4-bromo iodobenzene,3-fluoro-4-iodo-bromobenzene |
| IUPAC Name | 4-bromo-2-fluoro-1-iodobenzene |
| InChI Key | XRMZKCQCINEBEI-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrFI |
2,6-Difluorobenzonitrile, 98%
CAS: 1897-52-5 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.105 MDL Number: MFCD00001778 InChI Key: BNBRIFIJRKJGEI-UHFFFAOYSA-N Synonym: 2,6-difluorobenznitrile,benzonitrile, 2,6-difluoro,2,6-difluoro-benzonitrile,2,6-dfbn,unii-1j58z42a2e,2,6-difluoro benzonitrile,2,6-difluorobenzenecarbonitrile,2,6-difluorophenylcyanide,ncr bf ff,6-difluorobenzonitrile PubChem CID: 74695 IUPAC Name: 2,6-difluorobenzonitrile SMILES: C1=CC(=C(C(=C1)F)C#N)F
| PubChem CID | 74695 |
|---|---|
| CAS | 1897-52-5 |
| Molecular Weight (g/mol) | 139.105 |
| MDL Number | MFCD00001778 |
| SMILES | C1=CC(=C(C(=C1)F)C#N)F |
| Synonym | 2,6-difluorobenznitrile,benzonitrile, 2,6-difluoro,2,6-difluoro-benzonitrile,2,6-dfbn,unii-1j58z42a2e,2,6-difluoro benzonitrile,2,6-difluorobenzenecarbonitrile,2,6-difluorophenylcyanide,ncr bf ff,6-difluorobenzonitrile |
| IUPAC Name | 2,6-difluorobenzonitrile |
| InChI Key | BNBRIFIJRKJGEI-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2N |
1,4-Dibromo-2-nitrobenzene, 98%
CAS: 3460-18-2 Molecular Formula: C6H3Br2NO2 Molecular Weight (g/mol): 280.903 MDL Number: MFCD00007046 InChI Key: WRGKKASJBOREMB-UHFFFAOYSA-N Synonym: 2,5-dibromonitrobenzene,1,4-dibromo-2-nitro-benzene,benzene, 1,4-dibromo-2-nitro,2,5-dibromo-1-nitrobenzene,rarechem fh 1w 0042,pubchem3899,1,4-dibromonitrobenzene,2,5-dibromo nitrobenzene,2,5-dibromo-nitrobenzene,acmc-1ahj1 PubChem CID: 77004 IUPAC Name: 1,4-dibromo-2-nitrobenzene SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])Br
| PubChem CID | 77004 |
|---|---|
| CAS | 3460-18-2 |
| Molecular Weight (g/mol) | 280.903 |
| MDL Number | MFCD00007046 |
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])Br |
| Synonym | 2,5-dibromonitrobenzene,1,4-dibromo-2-nitro-benzene,benzene, 1,4-dibromo-2-nitro,2,5-dibromo-1-nitrobenzene,rarechem fh 1w 0042,pubchem3899,1,4-dibromonitrobenzene,2,5-dibromo nitrobenzene,2,5-dibromo-nitrobenzene,acmc-1ahj1 |
| IUPAC Name | 1,4-dibromo-2-nitrobenzene |
| InChI Key | WRGKKASJBOREMB-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br2NO2 |
Phenyl phosphorodichloridate, 97%
CAS: 770-12-7 Molecular Formula: C6H5Cl2O2P Molecular Weight (g/mol): 210.978 MDL Number: MFCD00002067 InChI Key: TXFOLHZMICYNRM-UHFFFAOYSA-N Synonym: phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester PubChem CID: 13038 IUPAC Name: dichlorophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(Cl)Cl
| PubChem CID | 13038 |
|---|---|
| CAS | 770-12-7 |
| Molecular Weight (g/mol) | 210.978 |
| MDL Number | MFCD00002067 |
| SMILES | C1=CC=C(C=C1)OP(=O)(Cl)Cl |
| Synonym | phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester |
| IUPAC Name | dichlorophosphoryloxybenzene |
| InChI Key | TXFOLHZMICYNRM-UHFFFAOYSA-N |
| Molecular Formula | C6H5Cl2O2P |
Ethyl 3-nitrobenzoate, 98+%
CAS: 618-98-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00014702 InChI Key: MKBIJCPQTPFQKQ-UHFFFAOYSA-N Synonym: ethyl m-nitrobenzoate,benzoic acid, 3-nitro-, ethyl ester,ethyl-m-nitrobenzoate,m-nitrobenzoic acid, ethyl ester,benzoic acid, m-nitro-, ethyl ester,acmc-20akzc,3-nitrobenzoic acid ethyl,benzoic acid, 3-nitro-,ethyl ester,benzoic acid, m-nitro-, ethyl ester 8ci,r---2-2-diphenylphosphino phenyl-4-phenyl-2-oxazoline PubChem CID: 69261 IUPAC Name: ethyl 3-nitrobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
| PubChem CID | 69261 |
|---|---|
| CAS | 618-98-4 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00014702 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| Synonym | ethyl m-nitrobenzoate,benzoic acid, 3-nitro-, ethyl ester,ethyl-m-nitrobenzoate,m-nitrobenzoic acid, ethyl ester,benzoic acid, m-nitro-, ethyl ester,acmc-20akzc,3-nitrobenzoic acid ethyl,benzoic acid, 3-nitro-,ethyl ester,benzoic acid, m-nitro-, ethyl ester 8ci,r---2-2-diphenylphosphino phenyl-4-phenyl-2-oxazoline |
| IUPAC Name | ethyl 3-nitrobenzoate |
| InChI Key | MKBIJCPQTPFQKQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
1,2-Difluorobenzene, 98+%
CAS: 367-11-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000284 InChI Key: GOYDNIKZWGIXJT-UHFFFAOYSA-N Synonym: o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene PubChem CID: 9706 ChEBI: CHEBI:38583 IUPAC Name: 1,2-difluorobenzene SMILES: FC1=CC=CC=C1F
| PubChem CID | 9706 |
|---|---|
| CAS | 367-11-3 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:38583 |
| MDL Number | MFCD00000284 |
| SMILES | FC1=CC=CC=C1F |
| Synonym | o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene |
| IUPAC Name | 1,2-difluorobenzene |
| InChI Key | GOYDNIKZWGIXJT-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2 |