Benzene and substituted derivatives
4-Bromobenzenesulfinic acid sodium salt dihydrate, 97%
CAS: 175278-64-5 Molecular Formula: C6H4BrO2S Molecular Weight (g/mol): 220.06 MDL Number: MFCD00210139 InChI Key: QBLQHDHWTVMHRH-UHFFFAOYSA-M Synonym: sodium 4-bromobenzenesulfinate dihydrate,4-bromobenzenesulfinic acid sodium salt dihydrate,sodium 4-bromobenzene-1-sulphinate dihydrate,acmc-209e9v,c6h4bro2s.na.2h2o,sodium 4-bromophenylsulfinate dihydrate,sodium 4-bromobenzenesulfinate, dihydrate,sodium 4-bromanylbenzenesulfinate dihydrate,4-bromobenzenesulfonic acid sodium salt 2-hydrate,sodium 4-bromobenzene-1-sulfinate-water 1/1/2 PubChem CID: 23683129 IUPAC Name: sodium;4-bromobenzenesulfinate;dihydrate SMILES: [O-]S(=O)C1=CC=C(Br)C=C1
2,3-Difluorotoluene, 97%, Thermo Scientific™
CAS: 3828-49-7 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.12 MDL Number: MFCD01631506 InChI Key: ZNEHIDGAPGVZSA-UHFFFAOYSA-N Synonym: 2,3-difluorotoluene,1,2-difluoro-3-methyl-benzene,benzene, 1,2-difluoro-3-methyl,2,3-difluoro methyl benzene,pubchem1610,2,3-difluoro toluene,acmc-209iz4,2.3-difluoro methyl benzene,ksc493c6t PubChem CID: 2774228 IUPAC Name: 1,2-difluoro-3-methylbenzene SMILES: CC1=CC=CC(F)=C1F
Phenyl trans-beta-styryl sulfone, 96%
CAS: 16212-06-9 Molecular Formula: C14H12O2S Molecular Weight (g/mol): 244.308 MDL Number: MFCD00159177 InChI Key: DNMCCXFLTURVLK-VAWYXSNFSA-N Synonym: phenyl trans-styryl sulfone,phenyl styryl sulfone,sulfone, phenyl styryl,phenyl trans-styryl sulphone,phenyl 2-phenylvinyl sulfone,benzene, 2-phenylethenyl sulfonyl,e-2-benzenesulfonyl ethenyl benzene,1e-2-phenylvinyl sulfonyl benzene,styrylsulfonylbenzene,e-2-phenylethenyl sulphonylbenzene PubChem CID: 736143 IUPAC Name: [(E)-2-(benzenesulfonyl)ethenyl]benzene SMILES: C1=CC=C(C=C1)C=CS(=O)(=O)C2=CC=CC=C2
2-Fluoro-6-nitrobenzyl bromide, 98%, Thermo Scientific™
CAS: 1958-93-6 Molecular Formula: C7H5BrFNO2 Molecular Weight (g/mol): 234.02 MDL Number: MFCD00042918 InChI Key: KKSODTKRSQTJFZ-UHFFFAOYSA-N PubChem CID: 74779 IUPAC Name: 2-(bromomethyl)-1-fluoro-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(F)=C1CBr
4-Bromo-2,5-difluoroaniline, 98%, Thermo Scientific Chemicals
CAS: 112279-60-4 Molecular Formula: C6H4BrF2N Molecular Weight (g/mol): 208.006 MDL Number: MFCD01861125 InChI Key: XOYHFIQPPOJMFK-UHFFFAOYSA-N Synonym: 4-bromo-2,5-difluoro-phenylamine,4-bromo-2,5-difluoro-aniline,4-bromo-2,5-difluorophenylamine,pubchem2928,acmc-1bvn4,ksc494m7l,4-bromo-2,5-difluorobenzenamine,2,5-difluoro-4-bromoaniline,4-bromo-2,5-difluoroaniline,benzenamine, 4-bromo-2,5-difluoro PubChem CID: 2773285 IUPAC Name: 4-bromo-2,5-difluoroaniline SMILES: C1=C(C(=CC(=C1F)Br)F)N
Benzhydryl bromide, 90+%
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
3,4-Difluorobenzonitrile, 98%
CAS: 64248-62-0 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.11 MDL Number: MFCD00011666 InChI Key: BTBFCBQZFMQBNT-UHFFFAOYSA-N Synonym: benzonitrile, 3,4-difluoro,4-cyano-1,2-difluorobenzene,3,4-difluoro benzonitrile,3,4-difluorobenzenecarbonitrile,pubchem1562,acmc-209nkz,3,4 difluorobenzonitrile,3,4-difluoro-benzonitrile,ksc355i7l,4-fluoro-3-fluorobenzonitrile PubChem CID: 587203 IUPAC Name: 3,4-difluorobenzonitrile SMILES: FC1=CC=C(C=C1F)C#N
Cinnamyl chloride, 95% trans
CAS: 2687-12-9 Molecular Formula: C9H9Cl Molecular Weight (g/mol): 152.62 MDL Number: MFCD00000986 InChI Key: IWTYTFSSTWXZFU-QPJJXVBHSA-N Synonym: cinnamyl chloride,3-chloroprop-1-en-1-yl benzene,3-chloro-1-phenyl-1-propene,trans-cinnamyl chloride,1e-3-chloroprop-1-en-1-yl benzene,benzene, 3-chloropropenyl,e-3-chloroprop-1-enyl benzene,unii-2i1adl56tx,2i1adl56tx,cinnamylchloride PubChem CID: 639658 IUPAC Name: [(E)-3-chloroprop-1-enyl]benzene SMILES: C1=CC=C(C=C1)C=CCCl
(Carbethoxymethyl)triphenylphosphonium bromide, 98%
CAS: 1530-45-6 Molecular Formula: C22H22BrO2P Molecular Weight (g/mol): 429.29 MDL Number: MFCD00011835 InChI Key: VJVZPTPOYCJFNI-UHFFFAOYSA-M Synonym: carbethoxymethyl triphenylphosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphonium bromide,ethoxycarbonylmethyl triphenylphosphonium bromide,carbethoxymethylenetriphenylphosphonium bromide,ethoxycarbonylmethyl triphenyl phosphonium bromide,phosphonium, 2-ethoxy-2-oxoethyl triphenyl-, bromide,carbethoxymethyl-triphenyl-phosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphanium bromide,carboethoxymethyl triphenylphosphonium bromide,phosphonium, ethoxycarbonylmethyl triphenyl-, bromide PubChem CID: 73731 IUPAC Name: (2-ethoxy-2-oxoethyl)-triphenylphosphanium;bromide SMILES: [Br-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
ethyle2-chloro-3,4-dimethoxybenzoate, 97%, Thermo Scientific™
CAS: 175136-04-6 Molecular Formula: C11H13ClO4 Molecular Weight (g/mol): 244.67 MDL Number: MFCD00085062 InChI Key: AXNMDQHZRJDVRG-UHFFFAOYSA-N Synonym: maybridge1_002113 PubChem CID: 2774987 IUPAC Name: ethyl 2-chloro-3,4-dimethoxybenzoate SMILES: CCOC(=O)C1=C(Cl)C(OC)=C(OC)C=C1
4-Aminobenzotrifluoride, 99%
CAS: 455-14-1 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.13 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N
4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene, 97%
CAS: 161265-03-8 Molecular Formula: C39H32OP2 Molecular Weight (g/mol): 578.63 MDL Number: MFCD00233866 InChI Key: CXNIUSPIQKWYAI-UHFFFAOYSA-N Synonym: xantphos,4,5-bis diphenylphosphino-9,9-dimethylxanthene,9,9-dimethyl-4,5-bis diphenylphosphino xanthene,9,9-dimethyl-9h-xanthene-4,5-diyl bis diphenylphosphine,dimethylbisdiphenylphosphinoxanthene,unii-nmu72mog9b,nmu72mog9b,9,9-dimethyl-9h-xanthene-4,5-diyl bis diphenylphosphane,5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl-diphenylphosphane,4,5-bis-diphenylphosphanyl-9,9-dimethyl-9h-xanthene PubChem CID: 636044 IUPAC Name: (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane SMILES: CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1
2,6-Bis(trifluoromethyl)benzoic acid, 98%
CAS: 24821-22-5 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.11 InChI Key: XZNLSDPNMNWCRE-UHFFFAOYSA-N Synonym: 2,6-bis trifluoromethyl benzoic acid,benzoic acid, 2,6-bis trifluoromethyl,2,6-bis-trifluoromethylbenzoic acid,2,6-di trifluoromethyl benzoic acid,2,6-bis-trifluoromethyl-benzoic acid,2,6-bis trifluoromethyl-benzoic acid,pubchem4988,acmc-1co7v,rarechem al bo 0513,timtec-bb sbb000962 PubChem CID: 90618 IUPAC Name: 2,6-bis(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C(=C1)C(F)(F)F)C(=O)O)C(F)(F)F
3-(1H-1,2,4-Triazol-1-yl)benzoic acid, 97%, Thermo Scientific™
CAS: 167626-64-4 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.174 MDL Number: MFCD08271895 InChI Key: SZKWCOCFEIVCAB-UHFFFAOYSA-N PubChem CID: 22224944 IUPAC Name: 3-(1,2,4-triazol-1-yl)benzoic acid SMILES: C1=CC(=CC(=C1)N2C=NC=N2)C(=O)O
4-Methylsulphonyl benzonitrile, 95%, Thermo Scientific™
CAS: 22821-76-7 Molecular Formula: C8H7NO2S Molecular Weight (g/mol): 181.21 MDL Number: MFCD00216489 InChI Key: FARXIDYHJAANGP-UHFFFAOYSA-N Synonym: 4-methylsulfonyl benzonitrile,4-methanesulfonyl-benzonitrile,4-methanesulfonylbenzonitrile,benzonitrile, 4-methylsulfonyl,benzonitrile, p-methylsulfonyl,4-methylsulfonyl benzenecarbonitrile,4-mesylbenzonitrile,maybridge3_003168,p-methylsulfonylbenzonitrile,4-methylsulphonylbenzonitrile PubChem CID: 519981 IUPAC Name: 4-methylsulfonylbenzonitrile SMILES: CS(=O)(=O)C1=CC=C(C=C1)C#N