Benzene and substituted derivatives
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Iodobenzene Diacetate 97.0+%, TCI America™
CAS: 3240-34-4 Molecular Formula: C10H11IO4 Molecular Weight (g/mol): 322.098 MDL Number: MFCD00008692 InChI Key: ZBIKORITPGTTGI-UHFFFAOYSA-N Synonym: iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo PubChem CID: 76724 IUPAC Name: [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate SMILES: CC(=O)OI(C1=CC=CC=C1)OC(=O)C
| PubChem CID | 76724 |
|---|---|
| CAS | 3240-34-4 |
| Molecular Weight (g/mol) | 322.098 |
| MDL Number | MFCD00008692 |
| SMILES | CC(=O)OI(C1=CC=CC=C1)OC(=O)C |
| Synonym | iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo |
| IUPAC Name | [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate |
| InChI Key | ZBIKORITPGTTGI-UHFFFAOYSA-N |
| Molecular Formula | C10H11IO4 |
4-Nitrobenzyl Bromide 98.0+%, TCI America™
CAS: 100-11-8 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00007373 InChI Key: VOLRSQPSJGXRNJ-UHFFFAOYSA-N Synonym: 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide PubChem CID: 66011 ChEBI: CHEBI:62822 IUPAC Name: 1-(bromomethyl)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(CBr)C=C1
| PubChem CID | 66011 |
|---|---|
| CAS | 100-11-8 |
| Molecular Weight (g/mol) | 216.03 |
| ChEBI | CHEBI:62822 |
| MDL Number | MFCD00007373 |
| SMILES | [O-][N+](=O)C1=CC=C(CBr)C=C1 |
| Synonym | 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide |
| IUPAC Name | 1-(bromomethyl)-4-nitrobenzene |
| InChI Key | VOLRSQPSJGXRNJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
Methyl 4-(Hydroxymethyl)benzoate 98.0+%, TCI America™
CAS: 6908-41-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00009984 InChI Key: VBWFYEFYHJRJER-UHFFFAOYSA-N Synonym: methyl 4-hydroxymethyl benzoate,benzoic acid, 4-hydroxymethyl-, methyl ester,4-carbomethoxybenzyl alcohol,4-hydroxymethyl benzoic acid methyl ester,methyl p-hydroxymethyl benzoate,acmc-209o5w,methyl p-hydroxymethylbenzoate,methyl-4-hydroxymethylbenzoate,p-methoxycarbonylbenzyl alcohol PubChem CID: 81325 IUPAC Name: methyl 4-(hydroxymethyl)benzoate SMILES: COC(=O)C1=CC=C(C=C1)CO
| PubChem CID | 81325 |
|---|---|
| CAS | 6908-41-4 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00009984 |
| SMILES | COC(=O)C1=CC=C(C=C1)CO |
| Synonym | methyl 4-hydroxymethyl benzoate,benzoic acid, 4-hydroxymethyl-, methyl ester,4-carbomethoxybenzyl alcohol,4-hydroxymethyl benzoic acid methyl ester,methyl p-hydroxymethyl benzoate,acmc-209o5w,methyl p-hydroxymethylbenzoate,methyl-4-hydroxymethylbenzoate,p-methoxycarbonylbenzyl alcohol |
| IUPAC Name | methyl 4-(hydroxymethyl)benzoate |
| InChI Key | VBWFYEFYHJRJER-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2,2'-Methylenebis(6-tert-butyl-p-cresol) 99.0+%, TCI America™
CAS: 119-47-1 Molecular Formula: C23H32O2 Molecular Weight (g/mol): 340.51 MDL Number: MFCD00043641 InChI Key: KGRVJHAUYBGFFP-UHFFFAOYSA-N PubChem CID: 8398 IUPAC Name: 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol SMILES: CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C
| PubChem CID | 8398 |
|---|---|
| CAS | 119-47-1 |
| Molecular Weight (g/mol) | 340.51 |
| MDL Number | MFCD00043641 |
| SMILES | CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C(O)C(=C1)C(C)(C)C |
| IUPAC Name | 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol |
| InChI Key | KGRVJHAUYBGFFP-UHFFFAOYSA-N |
| Molecular Formula | C23H32O2 |
Benzotrifluoride 98.0+%, TCI America™
CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 7368 |
|---|---|
| CAS | 98-08-8 |
| Molecular Weight (g/mol) | 146.112 |
| ChEBI | CHEBI:36810 |
| MDL Number | MFCD00000372 |
| SMILES | C1=CC=C(C=C1)C(F)(F)F |
| Synonym | benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene |
| IUPAC Name | trifluoromethylbenzene |
| InChI Key | GETTZEONDQJALK-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3 |
4,4'-Dimethoxybenzophenone 99.0+%, TCI America™
CAS: 90-96-0 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00008404 InChI Key: RFVHVYKVRGKLNK-UHFFFAOYSA-N Synonym: 4,4'-dimethoxybenzophenone,bis 4-methoxyphenyl methanone,methanone, bis 4-methoxyphenyl,p,p'-dimethoxybenzophenone,dmbp,bis p-anisyl ketone,bis 4-anisyl ketone,bis p-methoxy benzophenone,benzophenone, 4,4'-dimethoxy,1,1-di p-methoxyphenyl-ketone PubChem CID: 7032 IUPAC Name: bis(4-methoxyphenyl)methanone SMILES: COC1=CC=C(C=C1)C(=O)C1=CC=C(OC)C=C1
| PubChem CID | 7032 |
|---|---|
| CAS | 90-96-0 |
| Molecular Weight (g/mol) | 242.27 |
| MDL Number | MFCD00008404 |
| SMILES | COC1=CC=C(C=C1)C(=O)C1=CC=C(OC)C=C1 |
| Synonym | 4,4'-dimethoxybenzophenone,bis 4-methoxyphenyl methanone,methanone, bis 4-methoxyphenyl,p,p'-dimethoxybenzophenone,dmbp,bis p-anisyl ketone,bis 4-anisyl ketone,bis p-methoxy benzophenone,benzophenone, 4,4'-dimethoxy,1,1-di p-methoxyphenyl-ketone |
| IUPAC Name | bis(4-methoxyphenyl)methanone |
| InChI Key | RFVHVYKVRGKLNK-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
Tri(o-tolyl)phosphine 97.0+%, TCI America™
CAS: 6163-58-2 Molecular Formula: C21H21P Molecular Weight (g/mol): 304.373 MDL Number: MFCD00008514 InChI Key: COIOYMYWGDAQPM-UHFFFAOYSA-N Synonym: tri-o-tolylphosphine,tri o-tolyl phosphine,tris 2-methylphenyl phosphine,tris 2-methylphenyl phosphane,phosphine, tris 2-methylphenyl,tris o-tolyl phosphine,tri-ortho-toylphosphine,tri-ortho-tolylphosphine,phosphine, tri-o-tolyl,tri 2-methylphenyl phosphine PubChem CID: 80271 IUPAC Name: tris(2-methylphenyl)phosphane SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C
| PubChem CID | 80271 |
|---|---|
| CAS | 6163-58-2 |
| Molecular Weight (g/mol) | 304.373 |
| MDL Number | MFCD00008514 |
| SMILES | CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C |
| Synonym | tri-o-tolylphosphine,tri o-tolyl phosphine,tris 2-methylphenyl phosphine,tris 2-methylphenyl phosphane,phosphine, tris 2-methylphenyl,tris o-tolyl phosphine,tri-ortho-toylphosphine,tri-ortho-tolylphosphine,phosphine, tri-o-tolyl,tri 2-methylphenyl phosphine |
| IUPAC Name | tris(2-methylphenyl)phosphane |
| InChI Key | COIOYMYWGDAQPM-UHFFFAOYSA-N |
| Molecular Formula | C21H21P |
alpha-Bromodiphenylmethane 97.0+%, TCI America™
CAS: 776-74-9 Molecular Formula: C13H11Br Molecular Weight (g/mol): 247.135 MDL Number: MFCD00000134 InChI Key: OQROAIRCEOBYJA-UHFFFAOYSA-N Synonym: bromodiphenylmethane,benzhydryl bromide,diphenylmethyl bromide,diphenylbromomethane,alpha-bromodiphenylmethane,bromo phenyl methyl benzene,benzene, 1,1'-bromomethylene bis,methane, bromodiphenyl,bromomethylene dibenzene,bromodiphenyl methane PubChem CID: 236603 IUPAC Name: [bromo(phenyl)methyl]benzene SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)Br
| PubChem CID | 236603 |
|---|---|
| CAS | 776-74-9 |
| Molecular Weight (g/mol) | 247.135 |
| MDL Number | MFCD00000134 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)Br |
| Synonym | bromodiphenylmethane,benzhydryl bromide,diphenylmethyl bromide,diphenylbromomethane,alpha-bromodiphenylmethane,bromo phenyl methyl benzene,benzene, 1,1'-bromomethylene bis,methane, bromodiphenyl,bromomethylene dibenzene,bromodiphenyl methane |
| IUPAC Name | [bromo(phenyl)methyl]benzene |
| InChI Key | OQROAIRCEOBYJA-UHFFFAOYSA-N |
| Molecular Formula | C13H11Br |
Diisobutyl Phthalate 98.0+%, TCI America™
CAS: 84-69-5 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00026480 InChI Key: MGWAVDBGNNKXQV-UHFFFAOYSA-N Synonym: diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate PubChem CID: 6782 ChEBI: CHEBI:79053 IUPAC Name: 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate SMILES: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
| PubChem CID | 6782 |
|---|---|
| CAS | 84-69-5 |
| Molecular Weight (g/mol) | 278.35 |
| ChEBI | CHEBI:79053 |
| MDL Number | MFCD00026480 |
| SMILES | CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| Synonym | diisobutyl phthalate,palatinol ic,dibp,isobutyl phthalate,hexaplas m/1b,kodaflex dibp,di-iso-butyl phthalate,phthalic acid, diisobutyl ester,phthalic acid diisobutyl ester,di i-butyl phthalate |
| IUPAC Name | 1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate |
| InChI Key | MGWAVDBGNNKXQV-UHFFFAOYSA-N |
| Molecular Formula | C16H22O4 |
Isobutyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 2-3-4247 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00020167 InChI Key: XPJVKCRENWUEJH-UHFFFAOYSA-N Synonym: isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g PubChem CID: 20240 IUPAC Name: 2-methylpropyl 4-hydroxybenzoate SMILES: CC(C)COC(=O)C1=CC=C(C=C1)O
| PubChem CID | 20240 |
|---|---|
| CAS | 2-3-4247 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00020167 |
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)O |
| Synonym | isobutyl 4-hydroxybenzoate,isobutylparaben,isobutyl p-hydroxybenzoate,isobutyl paraben,isobutyl-4-hydroxybenzoate,isobutyl parahydroxybenzoate,4-hydroxybenzoic acid isobutyl ester,benzoic acid, 4-hydroxy-, 2-methylpropyl ester,p-oxybenzoesaureisobutylester,unii-0qqj25x58g |
| IUPAC Name | 2-methylpropyl 4-hydroxybenzoate |
| InChI Key | XPJVKCRENWUEJH-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
4-(Trifluoromethyl)benzamide 98.0+%, TCI America™
CAS: 1891-90-3 Molecular Formula: C8H6F3NO Molecular Weight (g/mol): 189.14 MDL Number: MFCD00007998 InChI Key: WEJHBEDHLLBJFW-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzamide,p-trifluoromethylbenzamide,p-trifluoromethyl benzamide,benzamide, 4-trifluoromethyl,pubchem5482,acmc-20a3xk,4-carbamoylbenzotrifluoride,4-trifluoromethyl-benzamide,4-cf3-c6h4conh2,n-4-trifluoromethyl benzamide PubChem CID: 74684 IUPAC Name: 4-(trifluoromethyl)benzamide SMILES: NC(=O)C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 74684 |
|---|---|
| CAS | 1891-90-3 |
| Molecular Weight (g/mol) | 189.14 |
| MDL Number | MFCD00007998 |
| SMILES | NC(=O)C1=CC=C(C=C1)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzamide,p-trifluoromethylbenzamide,p-trifluoromethyl benzamide,benzamide, 4-trifluoromethyl,pubchem5482,acmc-20a3xk,4-carbamoylbenzotrifluoride,4-trifluoromethyl-benzamide,4-cf3-c6h4conh2,n-4-trifluoromethyl benzamide |
| IUPAC Name | 4-(trifluoromethyl)benzamide |
| InChI Key | WEJHBEDHLLBJFW-UHFFFAOYSA-N |
| Molecular Formula | C8H6F3NO |
N-Methyl-p-toluidine 97.0+%, TCI America™
CAS: 623-08-5 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00025628 InChI Key: QCIFLGSATTWUQJ-UHFFFAOYSA-N Synonym: N,4-Dimethylaniline, 4-(Methylamino)toluene PubChem CID: 12165 IUPAC Name: N,4-dimethylaniline SMILES: CNC1=CC=C(C)C=C1
| PubChem CID | 12165 |
|---|---|
| CAS | 623-08-5 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00025628 |
| SMILES | CNC1=CC=C(C)C=C1 |
| Synonym | N,4-Dimethylaniline, 4-(Methylamino)toluene |
| IUPAC Name | N,4-dimethylaniline |
| InChI Key | QCIFLGSATTWUQJ-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
Diamyl Phthalate 98.0+%, TCI America™
CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.402 MDL Number: MFCD00041934 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N Synonym: dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester PubChem CID: 8561 ChEBI: CHEBI:34680 IUPAC Name: dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
| PubChem CID | 8561 |
|---|---|
| CAS | 131-18-0 |
| Molecular Weight (g/mol) | 306.402 |
| ChEBI | CHEBI:34680 |
| MDL Number | MFCD00041934 |
| SMILES | CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC |
| Synonym | dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester |
| IUPAC Name | dipentyl benzene-1,2-dicarboxylate |
| InChI Key | IPKKHRVROFYTEK-UHFFFAOYSA-N |
| Molecular Formula | C18H26O4 |
4-Amino-5-chloro-o-anisic Acid 98.0+%, TCI America™
CAS: 7206-70-4 Molecular Formula: C8H8ClNO3 Molecular Weight (g/mol): 201.606 MDL Number: MFCD00038794 InChI Key: RVEATKYEARPWRE-UHFFFAOYSA-N Synonym: 4-amino-5-chloro-o-anisic acid,unii-pq8l2l84el,benzoic acid, 4-amino-5-chloro-2-methoxy,pq8l2l84el,pubchem15052,acmc-209oll,metoclopramide impurity c,2-methoxy-4-amino-5-chlorobenzoic acid,4amino-5-chloro-2-methoxy-benzoic acid,5-chloro-4-amino-2-methoxybenzoic acid PubChem CID: 81626 IUPAC Name: 4-amino-5-chloro-2-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1C(=O)O)Cl)N
| PubChem CID | 81626 |
|---|---|
| CAS | 7206-70-4 |
| Molecular Weight (g/mol) | 201.606 |
| MDL Number | MFCD00038794 |
| SMILES | COC1=CC(=C(C=C1C(=O)O)Cl)N |
| Synonym | 4-amino-5-chloro-o-anisic acid,unii-pq8l2l84el,benzoic acid, 4-amino-5-chloro-2-methoxy,pq8l2l84el,pubchem15052,acmc-209oll,metoclopramide impurity c,2-methoxy-4-amino-5-chlorobenzoic acid,4amino-5-chloro-2-methoxy-benzoic acid,5-chloro-4-amino-2-methoxybenzoic acid |
| IUPAC Name | 4-amino-5-chloro-2-methoxybenzoic acid |
| InChI Key | RVEATKYEARPWRE-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO3 |
4-Fluorophenyl Isothiocyanate 98.0+%, TCI America™
CAS: 1544-68-9 Molecular Formula: C7H4FNS Molecular Weight (g/mol): 153.174 MDL Number: MFCD00004809 InChI Key: NFIUJHJMCQQYDL-UHFFFAOYSA-N Synonym: 4-fluorophenyl isothiocyanate,p-fluorophenyl isothiocyanate,benzene, 1-fluoro-4-isothiocyanato,4-fluorophenylisothiocyanate,1-fluoro-4-isothiocyanato-benzene,isothiocyanic acid, p-fluorophenyl ester,isothiocyanic acid 4-fluorophenyl ester,4-fluorobenzenisothiocyanate,4-fluoroisothiocyanatobenzene,pubchem5008 PubChem CID: 15241 IUPAC Name: 1-fluoro-4-isothiocyanatobenzene SMILES: C1=CC(=CC=C1N=C=S)F
| PubChem CID | 15241 |
|---|---|
| CAS | 1544-68-9 |
| Molecular Weight (g/mol) | 153.174 |
| MDL Number | MFCD00004809 |
| SMILES | C1=CC(=CC=C1N=C=S)F |
| Synonym | 4-fluorophenyl isothiocyanate,p-fluorophenyl isothiocyanate,benzene, 1-fluoro-4-isothiocyanato,4-fluorophenylisothiocyanate,1-fluoro-4-isothiocyanato-benzene,isothiocyanic acid, p-fluorophenyl ester,isothiocyanic acid 4-fluorophenyl ester,4-fluorobenzenisothiocyanate,4-fluoroisothiocyanatobenzene,pubchem5008 |
| IUPAC Name | 1-fluoro-4-isothiocyanatobenzene |
| InChI Key | NFIUJHJMCQQYDL-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNS |