Benzene and substituted derivatives
3-bromo-2-hydroxy-5-nitrobenzaldehyde, Thermo Scientific™
CAS: 16789-84-7 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD00051833 InChI Key: BESBCGANGAEHPM-UHFFFAOYSA-N Synonym: 3-bromo-2-hydroxy-5-nitrobenzaldehyde,3-bromo-5-nitrosalicylaldehyde,3-bromo-2-hydroxy-5-nitrobenzenecarbaldehyde,2-hydroxy-3-bromo-5-nitrobenzaldehyde,3-bromo-2-hydroxy-5-nitro-benzaldehyde,acmc-1cfaz,3-bromo-5-nitro-salicylaldehyde,benzaldehyde,3-bromo-2-hydroxy-5-nitro,3-bromanyl-5-nitro-2-oxidanyl-benzaldehyde PubChem CID: 519307 IUPAC Name: 3-bromo-2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=C(Br)C=C(C=C1C=O)[N+]([O-])=O
5-Chloro-2-hydroxybenzyl alcohol, 98%
CAS: 5330-38-1 Molecular Formula: C7H7ClO2 Molecular Weight (g/mol): 158.581 MDL Number: MFCD00021967 InChI Key: AFPSETMCMFRVPG-UHFFFAOYSA-N Synonym: 5-chlorosalicyl alcohol,4-chloro-2-hydroxymethyl phenol,5-chloro-2-hydroxybenzyl alcohol,benzenemethanol, 5-chloro-2-hydroxy,benzenemethanol,5-chloro-2-hydroxy,5-chlorosaligenin,5-chlorosalicylalcohol,saligenin, 5-chloro,5-chloro-2-hydroxyphenyl methanol,5-chloro-2-hydroxyphenylmethyl carbinol PubChem CID: 79238 IUPAC Name: 4-chloro-2-(hydroxymethyl)phenol SMILES: C1=CC(=C(C=C1Cl)CO)O
3-Bromophenylacetonitrile, 97%
CAS: 31938-07-5 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.047 MDL Number: MFCD00001906 InChI Key: UUZYFBXKWIQKTF-UHFFFAOYSA-N Synonym: 3-bromophenylacetonitrile,3-bromobenzyl cyanide,2-3-bromophenyl acetonitrile,m-bromobenzyl cyanide,benzeneacetonitrile, 3-bromo,3-bromobenzylcyanide,3-bromobenzeneacetonitrile,3-bromophenyl acetonitrile,m-bromophenylacetonitrile,2-3-bromophenyl ethanenitrile PubChem CID: 36023 IUPAC Name: 2-(3-bromophenyl)acetonitrile SMILES: C1=CC(=CC(=C1)Br)CC#N
3-Methylbenzoic anhydride, 97%
CAS: 21436-44-2 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00048083 InChI Key: DGZSQLHPEZFGSI-UHFFFAOYSA-N Synonym: 3-methylbenzoic anhydride,m-toluic anhydride,3-methylbenzene-1-carboxylic anhydride,benzoic acid, 3-methyl-, anhydride,3-methylbenzene-1-carboxylicanhydride,3-methylbenzoicanhydride,bis 3-methylbenzoic acid anhydride,3-methylbenzoyl 3-methylbenzoate,benzoic acid,3-methyl-, 1,1'-anhydride PubChem CID: 253301 IUPAC Name: (3-methylbenzoyl) 3-methylbenzoate SMILES: CC1=CC=CC(=C1)C(=O)OC(=O)C2=CC(=CC=C2)C
3-Bromo-5-methoxybenzoic acid, 98%
CAS: 157893-14-6 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00266858 InChI Key: DMXJBCHYVUGXEH-UHFFFAOYSA-N Synonym: 3-bromo-5-carboxyanisole,3-bromo-5-methoxybenzoicacid,3-bromo-5-methoxy-benzoic acid,benzoic acid, 3-bromo-5-methoxy,5-bromo-3-methoxybenzoic acid,pubchem16435,acmc-1bx98,ksc529k1f,3-bromo-5-methyloxy benzoic acid PubChem CID: 4060048 IUPAC Name: 3-bromo-5-methoxybenzoic acid SMILES: COC1=CC(=CC(=C1)C(=O)O)Br
4-Methylsulfonyl-2-nitrotoluene, 99%
CAS: 1671-49-4 Molecular Formula: C8H9NO4S Molecular Weight (g/mol): 215.22 MDL Number: MFCD00047808 InChI Key: OXBDLEXAVKAJFD-UHFFFAOYSA-N Synonym: 4-methylsulfonyl-2-nitrotoluene,1-methyl-4-methylsulfonyl-2-nitrobenzene,2-nitro-4-methylsulfonyltoluene,4-mesyl-2-nitrotoluene,4-methanesulfonyl-1-methyl-2-nitrobenzene,methyl 3-nitro-p-tolyl sulfone,benzene, 1-methyl-4-methylsulfonyl-2-nitro,2-nitro-4-methylsulf,ksc532k5r,4-methy-2-nitrosulfonyl toluene PubChem CID: 687125 SMILES: CC1=CC=C(C=C1[N+]([O-])=O)S(C)(=O)=O
3,4-Dimethoxyphenylacetic acid, 98%
CAS: 93-40-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00004335 InChI Key: WUAXWQRULBZETB-UHFFFAOYSA-N Synonym: homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl PubChem CID: 7139 ChEBI: CHEBI:86655 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid SMILES: COC1=C(C=C(C=C1)CC(=O)O)OC
3-Cyanobenzoic acid, 98+%
CAS: 1877-72-1 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002486 InChI Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N Synonym: m-cyanobenzoic acid,benzoic acid, 3-cyano,3-carboxybenzonitrile,3-cyano-benzoic acid,3-cyanobenzoicacid,benzoic acid, m-cyano,unii-d2gc692d78,3-cyano-benzoicacid,m-carboxybenzonitrile,3-cyano benzoic acid PubChem CID: 15875 IUPAC Name: 3-cyanobenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C#N
1-(2,6-Difluorophenyl)ethanol, 97%, Thermo Scientific Chemicals
CAS: 87327-65-9 Molecular Formula: C8H8F2O Molecular Weight (g/mol): 158.15 MDL Number: MFCD00274321 InChI Key: SIYWDKQSSDBLOA-UHFFFAOYNA-N Synonym: 1-2,6-difluorophenyl ethanol,1-2,6-difluorophenyl ethan-1-ol,2,6-difluoro-alpha-methylbenzyl alcohol,benzenemethanol,2,6-difluoro-a-methyl,2,6-difluoro-.alpha.-methylbenzyl alcohol PubChem CID: 5012075 IUPAC Name: 1-(2,6-difluorophenyl)ethanol SMILES: CC(O)C1=C(F)C=CC=C1F
Dimethyl 5-hydroxyisophthalate, 98%
CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 IUPAC Name: dimethyl 5-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
2-Fluoro-5-nitrobenzoic acid, 98%
CAS: 7304-32-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00134238 InChI Key: ICXSHFWYCHJILC-UHFFFAOYSA-N Synonym: 2-fluoro-5-nitrobenzoic acid,2-fluoro-5-nitrobenzoicacid,2-fluoro-5-nitro-benzoic acid,benzoic acid, 2-fluoro-5-nitro,2-fluoro-5-nitro-benzoicacid,pubchem1307,acmc-209op6,ksc377e3h,2-fluoro-5-nitrobenzotc acid,2-fluoro-5-nitro benzoic acid PubChem CID: 280997 IUPAC Name: 2-fluoro-5-nitrobenzoic acid SMILES: OC(=O)C1=CC(=CC=C1F)[N+]([O-])=O
4-(Chloromethyl)benzonitrile, 98+%
CAS: 874-86-2 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00019761 InChI Key: LOQLDQJTSMKBJU-UHFFFAOYSA-N Synonym: 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile PubChem CID: 70127 IUPAC Name: 4-(chloromethyl)benzonitrile SMILES: C1=CC(=CC=C1CCl)C#N
Glybenzcyclamide, 99%
CAS: 10238-21-8 Molecular Formula: C23H28ClN3O5S Molecular Weight (g/mol): 494.003 MDL Number: MFCD00056625 InChI Key: ZNNLBTZKUZBEKO-UHFFFAOYSA-N Synonym: glyburide,glibenclamide,glybenclamide,micronase,diabeta,glynase,daonil,euglucon,maninil,semi-daonil PubChem CID: 3488 ChEBI: CHEBI:5441 IUPAC Name: 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
4-Iodo-2-nitroanisole, 98%
CAS: 52692-09-8 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD08060933 InChI Key: WULXGCDMVLQZBT-UHFFFAOYSA-N Synonym: 4-iodo-2-nitroanisole,4-iodo-1-methoxy-2-nitro-benzene,benzene, 4-iodo-1-methoxy-2-nitro,2-nitro-4-iodoanisole,acmc-1amtn,4-methoxy-3-nitroiodobenzene,benzene,4-iodo-1-methoxy-2-nitro,4-iodanyl-1-methoxy-2-nitro-benzene PubChem CID: 12249866 IUPAC Name: 4-iodo-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(C=C1)I)[N+](=O)[O-]
4-Fluoro-2-iodoaniline, 96%
CAS: 61272-76-2 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.02 MDL Number: MFCD00042584 InChI Key: SETOTRGVPANENO-UHFFFAOYSA-N Synonym: 2-iodo-4-fluoroaniline,4-fluoro-2-indoaniline,4-fluoro-2-iodoanline,4-fluoro-2-iodo-aniline,4-fluoro-2-iodophenylamine,4-fluoro-2-iodo-phenylamine,benzenamine, 4-fluoro-2-iodo,zlchem 368,pubchem3413,2-iodo-4-fluoro-aniline PubChem CID: 2778283 IUPAC Name: 4-fluoro-2-iodoaniline SMILES: NC1=C(I)C=C(F)C=C1