Benzenoids
4-Amino-m-cresol, 99+%
CAS: 2835-99-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007871 InChI Key: QGNGOGOOPUYKMC-UHFFFAOYSA-N Synonym: 4-amino-m-cresol,4-hydroxy-2-methylaniline,3-methyl-4-aminophenol,p-amino-m-cresol,phenol, 4-amino-3-methyl,p-hydroxy-o-toluidine,2-methyl-4-hydroxyaniline,2-amino-5-hydroxytoluene,m-cresol, 4-amino,4-amino-3-cresol PubChem CID: 17819 ChEBI: CHEBI:55546 IUPAC Name: 4-amino-3-methylphenol SMILES: CC1=C(C=CC(=C1)O)N
3-Fluoro-5-(methoxycarbonyl)benzeneboronic acid, 95%, Thermo Scientific Chemicals
CAS: 871329-62-3 Molecular Formula: C8H8BFO4 Molecular Weight (g/mol): 197.956 MDL Number: MFCD07363749 InChI Key: VKHJVASTGLPBBL-UHFFFAOYSA-N Synonym: 3-fluoro-5-methoxycarbonyl phenyl boronic acid,3-fluoro-5-methoxycarbonylphenyl boronic acid,3-fluoro-5-methoxycarbonyl phenylboronic acid,3-fluoro-5-methoxycarbonyl benzeneboronic acid,benzoic acid,3-borono-5-fluoro-, 1-methyl ester 9ci,methyl 3-borono-5-fluorobenzoate,acmc-209qg6,ksc657s1f,3-fluoro-5-methoxycarbonylphenylboronicacid PubChem CID: 44717206 IUPAC Name: (3-fluoro-5-methoxycarbonylphenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)F)C(=O)OC)(O)O
4-(Methoxycarbonylamino)benzeneboronic acid, 97%, Thermo Scientific Chemicals
CAS: 850567-96-3 Molecular Formula: C8H10BNO4 Molecular Weight (g/mol): 194.981 MDL Number: MFCD03788425 InChI Key: ROAKVYQVTMOEGR-UHFFFAOYSA-N Synonym: 4-methoxycarbonylamino phenylboronic acid,4-methoxycarbonyl amino phenyl boronic acid,4-methoxycarbonylamino benzeneboronic acid,4-methoxycarbonyl amino phenylboronic acid,4-methoxycarbonylamino phenyl boronic acid,acmc-209q0y,4-methoxycarbonylamino-phenyl boronic acid,4-methoxycarbonylamino benzene boronic acid,4-methoxycarbonyl amino phenyl boronicacid PubChem CID: 2773494 IUPAC Name: [4-(methoxycarbonylamino)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)NC(=O)OC)(O)O
3-Fluoro-4-hydroxybenzeneboronic acid, 97%
CAS: 182344-14-5 Molecular Formula: C6H6BFO3 Molecular Weight (g/mol): 155.919 MDL Number: MFCD06659838 InChI Key: OYNDLOJPYURCJG-UHFFFAOYSA-N Synonym: 3-fluoro-4-hydroxyphenyl boronic acid,4-borono-2-fluorophenol,boronic acid, 3-fluoro-4-hydroxyphenyl,3-fluoro-4-hydroxybenzeneboronic acid,pubchem18807,acmc-1c2s7,3-fluoro-4-hydroxy-phenylboronic acid,4-hydroxy-3-fluorophenyl boronic acid,3-fluoro-4-hydroxyphenyl-boronic acid PubChem CID: 23005361 IUPAC Name: (3-fluoro-4-hydroxyphenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)O)F)(O)O
4-Fluorobenzoic acid, 99%
CAS: 456-22-4 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002530 InChI Key: BBYDXOIZLAWGSL-UHFFFAOYSA-N Synonym: p-fluorobenzoic acid,benzoic acid, 4-fluoro,para-fluorobenzoic acid,4-fluoro-benzoic acid,benzoic acid, p-fluoro,unii-v5roo2hou4,p-fluoro-benzoic acid,v5roo2hou4,4-fluorobenzoatd,p-flurobenzoic acid PubChem CID: 9973 ChEBI: CHEBI:20364 IUPAC Name: 4-fluorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)F
2-Amino-4-nitrobenzoic acid, 97%
CAS: 619-17-0 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00007262 InChI Key: UEALKTCRMBVTFN-UHFFFAOYSA-N Synonym: 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 PubChem CID: 12076 ChEBI: CHEBI:75335 IUPAC Name: 2-amino-4-nitrobenzoic acid SMILES: NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
m-Toluidine, 99%
CAS: 108-44-1 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00007808 InChI Key: JJYPMNFTHPTTDI-UHFFFAOYSA-N Synonym: m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine PubChem CID: 7934 IUPAC Name: 3-methylaniline SMILES: CC1=CC=CC(N)=C1
1-Iodo-2-nitrobenzene, 97%, Thermo Scientific Chemicals
CAS: 609-73-4 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.01 MDL Number: MFCD00007088 InChI Key: JXMZUNPWVXQADG-UHFFFAOYSA-N Synonym: 2-iodonitrobenzene,o-iodonitrobenzene,o-nitroiodobenzene,benzene, 1-iodo-2-nitro,2-nitroiodobenzene,2-iodo-1-nitrobenzene,1-iodo-2-nitro-benzene,2-iodo-nitrobenzene,2-nitro-iodobenzene,benzene, iodonitro PubChem CID: 69115 IUPAC Name: 1-iodo-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC=C1I
alpha-2-Chloroisodurene, 98%
CAS: 1585-16-6 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.66 MDL Number: MFCD00000901 InChI Key: UNRGEIXQCZHICP-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzyl chloride,2-chloromethyl-1,3,5-trimethylbenzene,alpha-2-chloroisodurene,benzene, 2-chloromethyl-1,3,5-trimethyl,2,4,6-trimethyl benzyl chloride,alpha2-chloroisodurene,chloromethyl mesitylene,2-chloromethyl-1,3,5-trimethyl-benzene,az-chloroisodurene,a-2-chloroisodurene PubChem CID: 74108 IUPAC Name: 2-(chloromethyl)-1,3,5-trimethylbenzene SMILES: CC1=CC(C)=C(CCl)C(C)=C1
Methyl P-Hydroxybenzoate, MP Biomedicals™
CAS: 99-76-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N Synonym: methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m PubChem CID: 7456 ChEBI: CHEBI:31835 IUPAC Name: methyl 4-hydroxybenzoate SMILES: COC(=O)C1=CC=C(C=C1)O
o-Phthalaldehyde, MP Biomedicals™
CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: benzene-1,2-dicarbaldehyde SMILES: O=CC1=CC=CC=C1C=O
Quinhydrone, MP Biomedicals™
CAS: 106-34-3 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.21 MDL Number: MFCD00010310 InChI Key: BDJXVNRFAQSMAA-UHFFFAOYSA-N Synonym: quinhydrone,green hydroquinone,p-benzoquinhydrone,chinhydron,chinhydron czech,unii-p4a66lq3qj,hydroquinone, compd. with p-benzoquinone,p-benzoquinone, compd. with hydroquinone,2,5-cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol 1:1,p-benzoquinone-hydroquinone compound 1:1 PubChem CID: 7801 ChEBI: CHEBI:26491 IUPAC Name: benzene-1,4-diol; cyclohexa-2,5-diene-1,4-dione SMILES: OC1=CC=C(O)C=C1.O=C1C=CC(=O)C=C1
2-Chloro-3-nitrobenzoic acid, 98%
CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
5-Bromosalicylic acid, 98%
CAS: 89-55-4 Molecular Formula: C7H5BrO3 Molecular Weight (g/mol): 217.02 MDL Number: MFCD00002455 InChI Key: IEJOONSLOGAXNO-UHFFFAOYSA-N Synonym: 5-bromosalicylic acid,benzoic acid, 5-bromo-2-hydroxy,salicylic acid, 5-bromo,2-hydroxy-5-bromobenzoic acid,benzoic acid, 3-bromo-6-hydroxy,5-bromo-2-hydroxy-benzoic acid,5-bromo-2-hydroxybenzoic acid,5-bromsalicylic acid,5-bromosalicyclic acid,acmc-209r1n PubChem CID: 6972 IUPAC Name: 5-bromo-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(Br)=CC=C1O
alpha-Bromo-m-tolunitrile, 95%
CAS: 28188-41-2 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001809 InChI Key: CVKOOKPNCVYHNY-UHFFFAOYSA-N Synonym: 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile PubChem CID: 97249 IUPAC Name: 3-(bromomethyl)benzonitrile SMILES: BrCC1=CC=CC(=C1)C#N