Benzene and substituted derivatives
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4-(Trifluoromethoxy)phenylhydrazine Hydrochloride 98.0+%, TCI America™
CAS: 133115-72-7 Molecular Formula: C7H8ClF3N2O Molecular Weight (g/mol): 228.60 MDL Number: MFCD00053033 InChI Key: KQXZVSQCMVKMBK-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenylhydrazine hydrochloride,4-trifluoromethoxy phenyl hydrazine hydrochloride,4-trifluoromethoxyphenylhydrazine hydrochloride,4-trifluoromethoxy phenylhydrazine hcl,4-trifluoromethoxyphenyl-hydrazine hcl,1-4-trifluoromethoxy phenyl hydrazine hydrochloride,p-trifluoromethoxy phenylhydrazine hydrochloride,hydrazine, 4-trifluoromethoxy phenyl-, monohydrochloride PubChem CID: 2777328 IUPAC Name: [4-(trifluoromethoxy)phenyl]hydrazine hydrochloride SMILES: Cl.NNC1=CC=C(OC(F)(F)F)C=C1
| PubChem CID | 2777328 |
|---|---|
| CAS | 133115-72-7 |
| Molecular Weight (g/mol) | 228.60 |
| MDL Number | MFCD00053033 |
| SMILES | Cl.NNC1=CC=C(OC(F)(F)F)C=C1 |
| Synonym | 4-trifluoromethoxy phenylhydrazine hydrochloride,4-trifluoromethoxy phenyl hydrazine hydrochloride,4-trifluoromethoxyphenylhydrazine hydrochloride,4-trifluoromethoxy phenylhydrazine hcl,4-trifluoromethoxyphenyl-hydrazine hcl,1-4-trifluoromethoxy phenyl hydrazine hydrochloride,p-trifluoromethoxy phenylhydrazine hydrochloride,hydrazine, 4-trifluoromethoxy phenyl-, monohydrochloride |
| IUPAC Name | [4-(trifluoromethoxy)phenyl]hydrazine hydrochloride |
| InChI Key | KQXZVSQCMVKMBK-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClF3N2O |
1-Bromo-2,4-difluoro-5-nitrobenzene 98.0+%, TCI America™
CAS: 345-24-4 Molecular Formula: C6H2BrF2NO2 Molecular Weight (g/mol): 237.99 MDL Number: MFCD00129166 InChI Key: OOUUWURPSUSDTD-UHFFFAOYSA-N Synonym: 5-Bromo-2,4-difluoronitrobenzene PubChem CID: 223078 IUPAC Name: 1-bromo-2,4-difluoro-5-nitrobenzene SMILES: [O-][N+](=O)C1=CC(Br)=C(F)C=C1F
| PubChem CID | 223078 |
|---|---|
| CAS | 345-24-4 |
| Molecular Weight (g/mol) | 237.99 |
| MDL Number | MFCD00129166 |
| SMILES | [O-][N+](=O)C1=CC(Br)=C(F)C=C1F |
| Synonym | 5-Bromo-2,4-difluoronitrobenzene |
| IUPAC Name | 1-bromo-2,4-difluoro-5-nitrobenzene |
| InChI Key | OOUUWURPSUSDTD-UHFFFAOYSA-N |
| Molecular Formula | C6H2BrF2NO2 |
2,3,4,6-Tetra-O-benzyl-beta-D-glucopyranosyl Fluoride 96.0+%, TCI America™
CAS: 78153-79-4 Molecular Formula: C34H35FO5 Molecular Weight (g/mol): 542.65 MDL Number: MFCD01862264 InChI Key: QNXIKNZDQVSBCO-UHFFFAOYNA-N PubChem CID: 10886059 IUPAC Name: 3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-fluorooxane SMILES: FC1OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1
| PubChem CID | 10886059 |
|---|---|
| CAS | 78153-79-4 |
| Molecular Weight (g/mol) | 542.65 |
| MDL Number | MFCD01862264 |
| SMILES | FC1OC(COCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)C1OCC1=CC=CC=C1 |
| IUPAC Name | 3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-fluorooxane |
| InChI Key | QNXIKNZDQVSBCO-UHFFFAOYNA-N |
| Molecular Formula | C34H35FO5 |
5-Chloro-2-fluorobenzoic Acid 98.0+%, TCI America™
CAS: 394-30-9 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00665762 InChI Key: WGAVMKXCDMQVNF-UHFFFAOYSA-N Synonym: 2-fluoro-5-chlorobenzoic acid,5-chloro-2-fluoro-benzoic acid,5-chloro-2-fluorobenzoicacid,benzoic acid, 5-chloro-2-fluoro,pubchem1375,acmc-1aigz,ksc223m7h,rarechem al bo 0944,5-chloro-2-fluorobenzoic acid,benzoicacid, 5-chloro-2-fluoro PubChem CID: 2736537 IUPAC Name: 5-chloro-2-fluorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)C(=O)O)F
| PubChem CID | 2736537 |
|---|---|
| CAS | 394-30-9 |
| Molecular Weight (g/mol) | 174.555 |
| MDL Number | MFCD00665762 |
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)F |
| Synonym | 2-fluoro-5-chlorobenzoic acid,5-chloro-2-fluoro-benzoic acid,5-chloro-2-fluorobenzoicacid,benzoic acid, 5-chloro-2-fluoro,pubchem1375,acmc-1aigz,ksc223m7h,rarechem al bo 0944,5-chloro-2-fluorobenzoic acid,benzoicacid, 5-chloro-2-fluoro |
| IUPAC Name | 5-chloro-2-fluorobenzoic acid |
| InChI Key | WGAVMKXCDMQVNF-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
3-Aminobenzoic Acid 99.0+%, TCI America™
CAS: 99-05-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007795 InChI Key: XFDUHJPVQKIXHO-UHFFFAOYSA-N Synonym: m-aminobenzoic acid,m-carboxyaniline,benzoic acid, 3-amino,3-carboxyaniline,maba,benzoic acid, m-amino,aniline-3-carboxylic acid,meta-aminobenzoic acid,m-aminobenzoesaeure,unii-g2x3b3o37u PubChem CID: 7419 ChEBI: CHEBI:42682 IUPAC Name: 3-aminobenzoic acid SMILES: C1=CC(=CC(=C1)N)C(=O)O
| PubChem CID | 7419 |
|---|---|
| CAS | 99-05-8 |
| Molecular Weight (g/mol) | 137.138 |
| ChEBI | CHEBI:42682 |
| MDL Number | MFCD00007795 |
| SMILES | C1=CC(=CC(=C1)N)C(=O)O |
| Synonym | m-aminobenzoic acid,m-carboxyaniline,benzoic acid, 3-amino,3-carboxyaniline,maba,benzoic acid, m-amino,aniline-3-carboxylic acid,meta-aminobenzoic acid,m-aminobenzoesaeure,unii-g2x3b3o37u |
| IUPAC Name | 3-aminobenzoic acid |
| InChI Key | XFDUHJPVQKIXHO-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Divinylbenzene (m- and p- mixture) (contains Ethylvinylbenzene, Diethylbenzene) (stabilized with TBC) 50.0+%, TCI America™
CAS: 1321-74-0 Molecular Formula: C10H10 Molecular Weight (g/mol): 130.19 MDL Number: MFCD01778656,MFCD00010654 InChI Key: MYRTYDVEIRVNKP-UHFFFAOYSA-N Synonym: divinylbenzene,1,2-divinylbenzene,o-divinylbenzene,benzene, diethenyl,benzene, 1,2-diethenyl,divinylbenzen,divinyl benzen,divinyl-benzene,poly divinylbenzene,divinylbenzene dvb PubChem CID: 66666 IUPAC Name: 1,2-diethenylbenzene SMILES: C=CC1=CC=CC=C1C=C
| PubChem CID | 66666 |
|---|---|
| CAS | 1321-74-0 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD01778656,MFCD00010654 |
| SMILES | C=CC1=CC=CC=C1C=C |
| Synonym | divinylbenzene,1,2-divinylbenzene,o-divinylbenzene,benzene, diethenyl,benzene, 1,2-diethenyl,divinylbenzen,divinyl benzen,divinyl-benzene,poly divinylbenzene,divinylbenzene dvb |
| IUPAC Name | 1,2-diethenylbenzene |
| InChI Key | MYRTYDVEIRVNKP-UHFFFAOYSA-N |
| Molecular Formula | C10H10 |
1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene 98.0+%, TCI America™
CAS: 21988-87-4 Molecular Formula: C12H15Br3 Molecular Weight (g/mol): 398.964 MDL Number: MFCD00192554 InChI Key: BHIFXIATEXVOQA-UHFFFAOYSA-N Synonym: 2,4,6-Tris(bromomethyl)mesitylene PubChem CID: 89140 IUPAC Name: 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene SMILES: CC1=C(C(=C(C(=C1CBr)C)CBr)C)CBr
| PubChem CID | 89140 |
|---|---|
| CAS | 21988-87-4 |
| Molecular Weight (g/mol) | 398.964 |
| MDL Number | MFCD00192554 |
| SMILES | CC1=C(C(=C(C(=C1CBr)C)CBr)C)CBr |
| Synonym | 2,4,6-Tris(bromomethyl)mesitylene |
| IUPAC Name | 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene |
| InChI Key | BHIFXIATEXVOQA-UHFFFAOYSA-N |
| Molecular Formula | C12H15Br3 |
2-Butyl-3-[[2'-cyano-[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4,4]non-1-en-4-one 97.0+%, TCI America™
CAS: 138401-24-8 Molecular Formula: C25H27N3O Molecular Weight (g/mol): 385.511 MDL Number: MFCD06658242 InChI Key: KWEQEHOPDHARIA-UHFFFAOYSA-N PubChem CID: 9843116 IUPAC Name: 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile SMILES: CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N
| PubChem CID | 9843116 |
|---|---|
| CAS | 138401-24-8 |
| Molecular Weight (g/mol) | 385.511 |
| MDL Number | MFCD06658242 |
| SMILES | CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N |
| IUPAC Name | 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile |
| InChI Key | KWEQEHOPDHARIA-UHFFFAOYSA-N |
| Molecular Formula | C25H27N3O |
3-Fluorophthalic Acid 98.0+%, TCI America™
CAS: 1583-67-1 Molecular Formula: C8H5FO4 Molecular Weight (g/mol): 184.122 MDL Number: MFCD00039524 InChI Key: BBCQSMSCEJBIRD-UHFFFAOYSA-N Synonym: 3-fluorobenzene-1,2-dicarboxylic acid,3-fluoro-1,2-benzenedicarboxylic acid,1,2-benzenedicarboxylic acid, 3-fluoro,1,2-benzenedicarboxylic acid, fluoro,3-fluorophthalic,3-fluorophtalic acid,3-fluorophthatic acid,pubchem1405,3-fluorophthalicacid PubChem CID: 345381 IUPAC Name: 3-fluorophthalic acid SMILES: C1=CC(=C(C(=C1)F)C(=O)O)C(=O)O
| PubChem CID | 345381 |
|---|---|
| CAS | 1583-67-1 |
| Molecular Weight (g/mol) | 184.122 |
| MDL Number | MFCD00039524 |
| SMILES | C1=CC(=C(C(=C1)F)C(=O)O)C(=O)O |
| Synonym | 3-fluorobenzene-1,2-dicarboxylic acid,3-fluoro-1,2-benzenedicarboxylic acid,1,2-benzenedicarboxylic acid, 3-fluoro,1,2-benzenedicarboxylic acid, fluoro,3-fluorophthalic,3-fluorophtalic acid,3-fluorophthatic acid,pubchem1405,3-fluorophthalicacid |
| IUPAC Name | 3-fluorophthalic acid |
| InChI Key | BBCQSMSCEJBIRD-UHFFFAOYSA-N |
| Molecular Formula | C8H5FO4 |
2,5-Dibromoterephthalic Acid 98.0+%, TCI America™
CAS: 13731-82-3 Molecular Formula: C8H4Br2O4 Molecular Weight (g/mol): 323.92 MDL Number: MFCD00204593 InChI Key: VUTICWRXMKBOSF-UHFFFAOYSA-N Synonym: 2,5-dibromoterephtalic acid,2,5-dibromobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2,5-dibromo,pubchem14888,1, 2,5-dibromo,maybridge1_002153,2,5-dibromoterephtalicacid,2,5-dibromoterephthalicacid,acmc-1cb24,ksc174o0t PubChem CID: 83690 IUPAC Name: 2,5-dibromobenzene-1,4-dicarboxylic acid SMILES: OC(=O)C1=CC(Br)=C(C=C1Br)C(O)=O
| PubChem CID | 83690 |
|---|---|
| CAS | 13731-82-3 |
| Molecular Weight (g/mol) | 323.92 |
| MDL Number | MFCD00204593 |
| SMILES | OC(=O)C1=CC(Br)=C(C=C1Br)C(O)=O |
| Synonym | 2,5-dibromoterephtalic acid,2,5-dibromobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2,5-dibromo,pubchem14888,1, 2,5-dibromo,maybridge1_002153,2,5-dibromoterephtalicacid,2,5-dibromoterephthalicacid,acmc-1cb24,ksc174o0t |
| IUPAC Name | 2,5-dibromobenzene-1,4-dicarboxylic acid |
| InChI Key | VUTICWRXMKBOSF-UHFFFAOYSA-N |
| Molecular Formula | C8H4Br2O4 |
| PubChem CID | 2734662 |
|---|---|
| CAS | 87199-15-3 |
| MDL Number | MFCD01317846 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | [3-(hydroxymethyl)phenyl]boronic acid |
| InChI Key | HGTDLKXUWVKLQX-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
| Formula Weight | 151.96 |
| Melting Point | 99°C |
5-Bromo-2-chlorobenzaldehyde 98.0+%, TCI America™
CAS: 189628-37-3 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD08445659 InChI Key: DPKKRQAEYWOISP-UHFFFAOYSA-N PubChem CID: 10608925 IUPAC Name: 5-bromo-2-chlorobenzaldehyde SMILES: ClC1=C(C=O)C=C(Br)C=C1
| PubChem CID | 10608925 |
|---|---|
| CAS | 189628-37-3 |
| Molecular Weight (g/mol) | 219.46 |
| MDL Number | MFCD08445659 |
| SMILES | ClC1=C(C=O)C=C(Br)C=C1 |
| IUPAC Name | 5-bromo-2-chlorobenzaldehyde |
| InChI Key | DPKKRQAEYWOISP-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
o-Anisic Acid 98.0+%, TCI America™
CAS: 579-75-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002431 InChI Key: ILUJQPXNXACGAN-UHFFFAOYSA-N Synonym: o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid PubChem CID: 11370 ChEBI: CHEBI:421840 IUPAC Name: 2-methoxybenzoic acid SMILES: COC1=CC=CC=C1C(=O)O
| PubChem CID | 11370 |
|---|---|
| CAS | 579-75-9 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:421840 |
| MDL Number | MFCD00002431 |
| SMILES | COC1=CC=CC=C1C(=O)O |
| Synonym | o-anisic acid,o-methoxybenzoic acid,2-anisic acid,o-methylsalicylic acid,benzoic acid, 2-methoxy,salicylic acid methyl ether,2-methoxy-benzoic acid,2-methoxybenzoicacid,o-methoxy benzoic acid,ortho-methoxybenzoic acid |
| IUPAC Name | 2-methoxybenzoic acid |
| InChI Key | ILUJQPXNXACGAN-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1-Butoxy-2,3-difluoro-4-(trans-4-propylcyclohexyl)benzene 98.0+%, TCI America™
CAS: 208709-55-1 Molecular Formula: C19H28F2O Molecular Weight (g/mol): 310.429 MDL Number: MFCD20489249 InChI Key: KYNDSYARZOJNCG-UHFFFAOYSA-N PubChem CID: 22184028 IUPAC Name: 1-butoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene SMILES: CCCCOC1=C(C(=C(C=C1)C2CCC(CC2)CCC)F)F
| PubChem CID | 22184028 |
|---|---|
| CAS | 208709-55-1 |
| Molecular Weight (g/mol) | 310.429 |
| MDL Number | MFCD20489249 |
| SMILES | CCCCOC1=C(C(=C(C=C1)C2CCC(CC2)CCC)F)F |
| IUPAC Name | 1-butoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene |
| InChI Key | KYNDSYARZOJNCG-UHFFFAOYSA-N |
| Molecular Formula | C19H28F2O |
4-(Trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
CAS: 1548-13-6 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00002028 InChI Key: QZTWVDCKDWZCLV-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenyl isocyanate,1-isocyanato-4-trifluoromethyl benzene,alpha,alpha,alpha-trifluoro-p-tolyl isocyanate,4-trifluoromethyl phenylisocyanate,4-isocyanatobenzotrifluoride,4-trifluoromethylphenyl isocyanate,benzene, 1-isocyanato-4-trifluoromethyl,p-trifluoromethylphenyl isocyanate,isocyanic acid 4-trifluoromethyl phenyl ester,4-trifluoromethyl benzenisocyanate PubChem CID: 73768 IUPAC Name: 1-isocyanato-4-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=C(C=C1)N=C=O
| PubChem CID | 73768 |
|---|---|
| CAS | 1548-13-6 |
| Molecular Weight (g/mol) | 187.12 |
| MDL Number | MFCD00002028 |
| SMILES | FC(F)(F)C1=CC=C(C=C1)N=C=O |
| Synonym | 4-trifluoromethyl phenyl isocyanate,1-isocyanato-4-trifluoromethyl benzene,alpha,alpha,alpha-trifluoro-p-tolyl isocyanate,4-trifluoromethyl phenylisocyanate,4-isocyanatobenzotrifluoride,4-trifluoromethylphenyl isocyanate,benzene, 1-isocyanato-4-trifluoromethyl,p-trifluoromethylphenyl isocyanate,isocyanic acid 4-trifluoromethyl phenyl ester,4-trifluoromethyl benzenisocyanate |
| IUPAC Name | 1-isocyanato-4-(trifluoromethyl)benzene |
| InChI Key | QZTWVDCKDWZCLV-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |