Benzenoids
4-n-Octylbenzoic acid, 99%
CAS: 3575-31-3 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00042649 InChI Key: ZQLDNJKHLQOJGE-UHFFFAOYSA-N Synonym: 4-n-octylbenzoic acid,benzoic acid, 4-octyl,p-octylbenzoic acid,para-octylbenzoic acid,benzoic acid, p-octyl,p-n-octyl benzoic acid,p-octyl benzoic acid,4-n-octylbenzoicacid,p-n-octylbenzoic acid,maybridge1_001984 PubChem CID: 19147 IUPAC Name: 4-octylbenzoic acid SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)O
4-Amino-3-fluorobenzoic acid, 98%, Thermo Scientific Chemicals
CAS: 455-87-8 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD01660374 InChI Key: JSKXHTHMCCDEGD-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminobenzoic acid,benzoic acid, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarboxylic acid,4-amino-3-fluoro-benzoic acid,4-amino-3-fluorobenzoicacid,pubchem3524,wln: zr bf dvq,acmc-209k3i,3-14-00-01153 beilstein handbook reference,buttpark 44\09-60 PubChem CID: 9971 IUPAC Name: 4-amino-3-fluorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)F)N
4-chloro-3-ethylphenol, 97%, Thermo Scientific™
CAS: 14143-32-9 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 InChI Key: DVKVZPIRWWREJC-UHFFFAOYSA-N Synonym: 4-chloro-3-ethyl-phenol,phenol, 4-chloro-3-ethyl,clmep,pubchem2213,4chloro-3-ethylphenol,3-ethyl-4-chlorophenol,acmc-1c2gm,diisopropylidenemannofuranose,ksc183m9d,4-chloro-3-ethylphenol PubChem CID: 84223 IUPAC Name: 4-chloro-3-ethylphenol SMILES: CCC1=C(C=CC(=C1)O)Cl
Phenyl sulfone, 97%
CAS: 127-63-9 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 MDL Number: MFCD00007548 InChI Key: KZTYYGOKRVBIMI-UHFFFAOYSA-N Synonym: diphenyl sulfone,phenyl sulfone,sulfonyldibenzene,diphenylsulfone,sulfobenzide,diphenyl sulphone,benzene, 1,1'-sulfonylbis,sulfone, diphenyl,1,1'-sulfonyldibenzene,phenyl sulphone PubChem CID: 31386 ChEBI: CHEBI:78360 SMILES: O=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1
1-Bromo-4-(ethylthio)benzene, 97%
CAS: 30506-30-0 Molecular Formula: C8H9BrS Molecular Weight (g/mol): 217.124 MDL Number: MFCD01318109 InChI Key: CTFHVAKXUMMGOC-UHFFFAOYSA-N Synonym: 1-bromo-4-ethylthio benzene,1-bromo-4-ethylsulfanyl benzene,4-bromophenyl ethyl sulfane,benzene,1-bromo-4-ethylthio,acmc-1ae1n,1-bromo-4-ethylthiobenzene,4-bromo-1-ethylthiobenzene,ethyl 4-bromophenyl sulfide,1-bromo-4-ethylthio-benzene,1-bromo-4-ethylsulfanyl-benzene PubChem CID: 7006650 IUPAC Name: 1-bromo-4-ethylsulfanylbenzene SMILES: CCSC1=CC=C(C=C1)Br
N-(4-Chlorobenzyl)-N-methylamine, ≥97%, Thermo Scientific™
CAS: 104-11-0 Molecular Formula: C8H10ClN Molecular Weight (g/mol): 155.625 MDL Number: MFCD00018749 InChI Key: LMBUJNXYGGNSAH-UHFFFAOYSA-N Synonym: 4-chloro-n-methylbenzylamine,n-methyl-4-chlorobenzylamine,1-4-chlorophenyl-n-methylmethanamine,n-4-chlorobenzyl-n-methylamine,4-chloro-benzyl-methyl-amine,4-chlorophenyl methyl methyl amine,4-chlorobenzyl methylamine,benzenemethanamine, 4-chloro-n-methyl,4-chlorobenzylmethylamine,p-chloro-n-methylbenzylamine PubChem CID: 66905 IUPAC Name: 1-(4-chlorophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)Cl
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
2,3,4,5,6-Pentafluorophenylacetic acid, 98+%
CAS: 653-21-4 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.102 MDL Number: MFCD00004316 InChI Key: LGCODSNZJOVMHV-UHFFFAOYSA-N Synonym: pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid PubChem CID: 69553 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)acetic acid SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
1,2,4-Trihydroxybenzene, 97%
CAS: 533-73-3 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 MDL Number: MFCD00002198 InChI Key: GGNQRNBDZQJCCN-UHFFFAOYSA-N Synonym: 1,2,4-benzenetriol,1,2,4-trihydroxybenzene,hydroxyhydroquinone,hydroxyquinol,oxyhydroquinone,2,5-dihydroxyphenol,oxyhydrochinon,hydroquinone, hydroxy,4-hydroxycatechol,1,3,4-trihydroxybenzene PubChem CID: 10787 ChEBI: CHEBI:16971 IUPAC Name: benzene-1,2,4-triol SMILES: C1=CC(=C(C=C1O)O)O
4-Fluoro-3-nitrobenzaldehyde, 98%, Thermo Scientific Chemicals
CAS: 42564-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD01861388 InChI Key: ILKWFRCNNILIJW-UHFFFAOYSA-N Synonym: 3-nitro-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzaldehyde,pubchem22572,acmc-1ao2q,3-nitro-4 fluorobenzaldehyde,ksc497m9r,2-fluoro-5-formylnitrobenzene,#,4-fluoranyl-3-nitro-benzaldehyde PubChem CID: 598129 IUPAC Name: 4-fluoro-3-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])F
4-(Trifluoromethoxy)phenylhydrazine hydrochloride, 98%
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
4-Chloro-2-nitrobenzyl chloride, 98%
CAS: 938-71-6 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.02 MDL Number: MFCD00007216 InChI Key: QBIQAXWMONJLNW-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrobenzyl chloride,4-chloro-1-chloromethyl-2-nitrobenzene,4-chloro-2-nitrobenzylchloride,acmc-20amlj,benzene, 4-chloro-1-chloromethyl-2-nitro,2-nitro-4-chlorobenzyl chloride,omphlgrocarzou-uhfffaoysa,.alpha.,4-dichloro-2-nitrotoluene PubChem CID: 598399 SMILES: [O-][N+](=O)C1=CC(Cl)=CC(CCl)=C1
1-Iodo-4-n-propylbenzene, 97%
CAS: 126261-84-5 Molecular Formula: C9H11I Molecular Weight (g/mol): 246.09 MDL Number: MFCD00051612 InChI Key: ZRWCHMFGMKNWEC-UHFFFAOYSA-N Synonym: 1-iodo-4-n-propylbenzene,1-iodo-4-propyl-benzene,4-iodopropylbenzene,4-propyliodobenzene,p-n-propyliodobenzene,4-iodo-n-propylbenzene,4-n-propyl iodobenzene,#,benzene,1-iodo-4-propyl,1-iodanyl-4-propyl-benzene PubChem CID: 612541 IUPAC Name: 1-iodo-4-propylbenzene SMILES: CCCC1=CC=C(I)C=C1
Methyl phenyl carbonate, 97%
CAS: 13509-27-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039782 InChI Key: XTBFPVLHGVYOQH-UHFFFAOYSA-N Synonym: carbonic acid, methyl phenyl ester,phenyl methyl carbonate,phenyl methoxyformate,acmc-20akf2,carbonic acid methyl phenyl PubChem CID: 139482 IUPAC Name: methyl phenyl carbonate SMILES: COC(=O)OC1=CC=CC=C1
(S)-(-)-1-Phenylpropyl isocyanate, 95%
CAS: 164033-12-9 Molecular Formula: C10H11NO Molecular Weight (g/mol): 161.204 MDL Number: MFCD05664090 InChI Key: XGPXXSJFZSZULR-JTQLQIEISA-N Synonym: s---1-phenylpropyl isocyanate,s-1-phenylpropyl isocyanate,1s-1-isocyanatopropyl benzene,benzene, 1-isocyanatopropyl-, s,5-1-isocyanatopropyl benzene,s-1-isocyanatopropyl benzene,benzene, 1s-1-isocyanatopropyl PubChem CID: 7018275 IUPAC Name: [(1S)-1-isocyanatopropyl]benzene SMILES: CCC(C1=CC=CC=C1)N=C=O