Benzene and substituted derivatives
Aniline Hydrogen Phthalate, MP Biomedicals
CAS: 50930-79-5 Molecular Formula: C14H13NO4 Molecular Weight (g/mol): 259.261 InChI Key: QGPZXNSBZMHHSR-UHFFFAOYSA-N Synonym: aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt PubChem CID: 170940 IUPAC Name: aniline;phthalic acid SMILES: C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
1-(3-Bromobenzyl)-4-methylperhydro-1,4-diazepine, 97%, Thermo Scientific™
CAS: 414885-80-6 Molecular Formula: C13H19BrN2 Molecular Weight (g/mol): 283.21 MDL Number: MFCD00811036 InChI Key: XUIRKBKKWOVRIJ-UHFFFAOYSA-N Synonym: 1-3-bromobenzyl-4-methylperhydro-1,4-diazepine,1-3-bromophenyl methyl-4-methyl-1,4-diazepane,1-3-bromobenzyl-4-methylhomopiperazine,1h-1,4-diazepine,1-3-bromophenyl methyl hexahydro-4-methyl,1-3-bromobenzyl-4-methyl-1,4-diazepane,cambridge id 5266396 PubChem CID: 764720 IUPAC Name: 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane SMILES: CN1CCCN(CC2=CC(Br)=CC=C2)CC1
3-Bromobenzonitrile, 99%
CAS: 6952-59-6 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001796 InChI Key: STXAVEHFKAXGOX-UHFFFAOYSA-N Synonym: m-bromobenzonitrile,benzonitrile, 3-bromo,benzonitrile, m-bromo,3-cyanobromobenzene,1-bromo-3-cyanobenzene,3-bromobenzenecarbonitrile,3-bromo benzonitrile,3-bromobenzonitride,m-brombenzonitril,3-brombenzonitrile PubChem CID: 23381 IUPAC Name: 3-bromobenzonitrile SMILES: BrC1=CC=CC(=C1)C#N
4-(2-Iodophenoxy)tetrahydropyran, 97%, Thermo Scientific™
CAS: 906352-70-3 Molecular Formula: C11H13IO2 Molecular Weight (g/mol): 304.127 MDL Number: MFCD09064961 InChI Key: ADTBIBCNKWWYRD-UHFFFAOYSA-N Synonym: 4-2-iodophenoxy tetrahydropyran,4-2-iodophenoxy oxane,4-2-iodophenoxy tetrahydro-2h-pyran PubChem CID: 21981312 IUPAC Name: 4-(2-iodophenoxy)oxane SMILES: C1COCCC1OC2=CC=CC=C2I
Phenyl carbamate, 98+%
CAS: 622-46-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007961 InChI Key: BSCCSDNZEIHXOK-UHFFFAOYSA-N Synonym: carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate PubChem CID: 69322 IUPAC Name: phenyl carbamate SMILES: C1=CC=C(C=C1)OC(=O)N
2-Ethoxybenzyl alcohol, 98%
CAS: 71672-75-8 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00004616 InChI Key: ICJVQAHPHKYCNU-UHFFFAOYSA-N Synonym: 2-ethoxyphenyl methanol,2-ethoxybenzyl alcohol,benzenemethanol, 2-ethoxy,o-ethoxybenzyl alcohol,ethyl ether of saligenin,2-ethoxybenzylalcohol,2-ethoxybenzenemethanol,benzyl alcohol, o-ethoxy,benzenemethanol, 2-ethoxy-9ci,acmc-1bgrn PubChem CID: 51381 IUPAC Name: (2-ethoxyphenyl)methanol SMILES: CCOC1=CC=CC=C1CO
4-n-Pentylbenzaldehyde, 95%
CAS: 6853-57-2 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00043599 InChI Key: NQVZPRUSNWNSQH-UHFFFAOYSA-N Synonym: p-pentylbenzaldehyde,benzaldehyde, 4-pentyl,4-n-pentylbenzaldehyde,p-amylbenzaldehyde,4-n-amylbenzaldehyde,p-n-pentylbenzaldehyde,p-pentyl-benzaldehyde,p-n-pentylben-zaldehyde,p-pentylbenzaldehyde, i PubChem CID: 23290 IUPAC Name: 4-pentylbenzaldehyde SMILES: CCCCCC1=CC=C(C=C1)C=O
4-Chlorophenylsulfonylacetone, 98+%, Thermo Scientific™
CAS: 5000-48-6 Molecular Formula: C9H9ClO3S Molecular Weight (g/mol): 232.68 MDL Number: MFCD00018663 InChI Key: BRDBHPZILGTBFY-UHFFFAOYSA-N Synonym: 4-chlorophenylsulfonylacetone,1-4-chlorophenyl sulfonyl acetone,1-4-chlorophenyl sulfonyl propan-2-one,4-chlorobenzenesulphonylacetone,p-chlorophenylsulfonylacetone,1-4-chlorobenzenesulfonyl propan-2-one,4-chlorophenylsulfonyl acetone,1-4-chlorophenyl sulfonylpropan-2-one,maybridge1_004685 PubChem CID: 521269 IUPAC Name: 1-(4-chlorophenyl)sulfonylpropan-2-one SMILES: CC(=O)CS(=O)(=O)C1=CC=C(Cl)C=C1
4-Bromobenzenesulfonamide, 98%
CAS: 701-34-8 Molecular Formula: C6H6BrNO2S Molecular Weight (g/mol): 236.083 MDL Number: MFCD00051977 InChI Key: STYQHICBPYRHQK-UHFFFAOYSA-N Synonym: p-bromobenzenesulfonamide,benzenesulfonamide, p-bromo,benzenesulfonamide, 4-bromo,4-bromobenzene-1-sulfonamide,4-bromo-benzenesulfonamide,4-bromobenzene sulfonamide,pbsa,4-bromophenylsulfonamide,4-bromo-phenylsulfonamide,wln: zswr de PubChem CID: 69696 IUPAC Name: 4-bromobenzenesulfonamide SMILES: C1=CC(=CC=C1S(=O)(=O)N)Br
beta,3-Dinitrostyrene, 98%
CAS: 882-26-8 Molecular Formula: C8H6N2O4 Molecular Weight (g/mol): 194.146 MDL Number: MFCD00052063 InChI Key: YOEGXQQUPVDQEE-SNAWJCMRSA-N Synonym: beta,3-dinitrostyrene,1-nitro-3-2-nitrovinyl benzene,m,.beta.-dinitrostyrene,trans-m,beta-dinitrostyrene,m-2-nitrovinyl nitrobenzene,3-nitro-b-nitrostyrene,styrene, m,beta-dinitro-, e,benzene, 1-nitro-3-2-nitroethenyl,1-nitro-2-m-nitrophenyl ethylene,1-nitro-3-e-2-nitroethenyl benzene PubChem CID: 5355017 IUPAC Name: 1-nitro-3-[(E)-2-nitroethenyl]benzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=C[N+](=O)[O-]
Methyl 4-(bromomethyl)benzoate, 98%
CAS: 2417-72-3 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00032453 InChI Key: NLWBJPPMPLPZIE-UHFFFAOYSA-N PubChem CID: 256687 IUPAC Name: methyl 4-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=C(CBr)C=C1
n-Propyl 4-aminobenzoate, 98%
CAS: 94-12-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD00017111 InChI Key: NBFQYHKHPBMJJV-UHFFFAOYSA-N Synonym: risocaine,propaesin,propazyl,propesine,propylcain,raythesin,keloform p,propyl p-aminobenzoate,propesin,4-propoxycarbonyl aniline PubChem CID: 7174 IUPAC Name: propyl 4-aminobenzoate SMILES: CCCOC(=O)C1=CC=C(N)C=C1
3-(Phenylsulfonyl)propionitrile, 99%
CAS: 10154-75-3 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.236 MDL Number: MFCD00047798 InChI Key: OVZPZPVSUAKTCM-UHFFFAOYSA-N Synonym: 3-phenylsulfonyl propionitrile,3-phenylsulfonyl propanenitrile,3-phenylsulphonyl propiononitrile,3-benzenesulfonyl propanenitrile,3-phenylsulfonylpropionitrile,acmc-1bvrh,enamine_005271,3-phenylsulfonyl propanitrile,3-phenylsulphonyl-propionitrile,propanenitrile, 3-phenylsulfonyl PubChem CID: 82413 IUPAC Name: 3-(benzenesulfonyl)propanenitrile SMILES: C1=CC=C(C=C1)S(=O)(=O)CCC#N
2-(4-tert-Butylphenyl)ethanol, 96%
CAS: 5406-86-0 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.275 MDL Number: MFCD00236023 InChI Key: NZGMMENPUKHODD-UHFFFAOYSA-N Synonym: 2-4-tert-butylphenyl ethanol,2-4-tert-butyl phenyl ethanol,p-tert-butylphenethyl alcohol,p-tert-butyl phenethyl alcohol,phenethyl alcohol, p-tert-butyl,4-tert-butylphenethyl alcohol,unii-aes74i7nru,aes74i7nru,benzeneethanol, 4-1,1-dimethylethyl PubChem CID: 79410 IUPAC Name: 2-(4-tert-butylphenyl)ethanol SMILES: CC(C)(C)C1=CC=C(C=C1)CCO
2-(3,5-Difluorophenyl)acetonitrile, 97%, Thermo Scientific™
CAS: 122376-76-5 Molecular Formula: C8H5F2N Molecular Weight (g/mol): 153.132 MDL Number: MFCD00061278 InChI Key: OBMYMTSBABEPIB-UHFFFAOYSA-N Synonym: 3,5-difluorophenylacetonitrile,2-3,5-difluorophenyl acetonitrile,3,5-difluorobenzyl cyanide,3,5-difluorobenzylcyanide,benzeneacetonitrile, 3,5-difluoro,3,5-difluorophenyl acetonitrile,2-3,5-difluorophenyl ethanenitrile,pubchem1588,acmc-1bxc0 PubChem CID: 518565 IUPAC Name: 2-(3,5-difluorophenyl)acetonitrile SMILES: C1=C(C=C(C=C1F)F)CC#N